16409811 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 8 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 4 4 5 5 6 7 7 8 8 8 9 10 10 11 11 12 12 12 13 13 13 14 14 15 17 17 18 18 19 19 21 21 22 22 23 23 24 25 25 25 26 3 9 32 16 17 20 37 6 16 20 20 26 9 10 12 11 14 27 15 28 29 30 31 16 18 19 15 33 34 23 25 21 35 22 36 24 38 24 39 26 40 44 41 42 43 2 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 3 -1 2 16 5 13 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 3.732 8.0622 7.1962 3.732 6.3301 5.4641 4.5981 7.1962 8.0622 7.1962 8.9282 6.3301 8.0622 8.0622 8.9282 7.1962 2.866 8.9282 8.0622 4.5981 9.7942 8.9282 2.866 9.7942 2 3.732 6.6592 9.4651 6.6401 5.7932 6.0201 8.5991 8.0622 9.4651 8.9282 7.5252 3.732 10.3312 8.9282 2.3291 1.69 1.4631 2.31 10.3312 3.75 -0.75 -0.25 0.75 1.25 0.75 2.25 -2.25 -1.75 -3.25 -2.25 -1.75 1.25 -3.75 -3.25 0.75 1.25 0.75 2.25 1.25 1.25 2.75 2.25 2.25 0.75 2.75 -3.56 -1.94 -1.2131 -1.44 -2.2869 -0.44 -4.37 -3.56 0.13 2.56 0.13 0.94 3.37 2.56 1.2869 0.44 0.2131 2.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 8 8 9 10 11 13 13 14 17 18 19 21 22 23 17 20 20 26 9 10 11 14 15 18 19 15 23 21 22 24 24 26 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 630 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BA000000000000000000000000000000000000000306080000000000000014000001E00180000000C0881980033C082E20000AA02277274009204012002001988002064D88820A280999180200060980208C9471080000E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(2-methylanilino)-N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)imino]benzamidine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(2-methylanilino)-N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)imino]benzenecarboximidamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>&apos;-(2-methylanilino)-<I>N</I>-[(6-methyl-4-oxo-1<I>H</I>-pyrimidin-2-yl)imino]benzenecarboximidamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(2-methylanilino)-N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)imino]benzenecarboximidamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)imino]-N'-[(2-methylphenyl)amino]benzenecarboximidamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(4-keto-6-methyl-1H-pyrimidin-2-yl)imino]-N'-(o-toluidino)benzamidine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H18N6O/c1-13-8-6-7-11-16(13)22-23-18(15-9-4-3-5-10-15)24-25-19-20-14(2)12-17(26)21-19/h3-12,22H,1-2H3,(H,20,21,26)/b23-18+,25-24? InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YDMKVEVQVPPGCE-PCIKRKQGSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.15420922 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H18N6O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1NN=C(C2=CC=CC=C2)N=NC3=NC(=O)C=C(N3)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1N/N=C(\C2=CC=CC=C2)/N=NC3=NC(=O)C=C(N3)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 90.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.15420922 26 0 0 0 1 1 0 0 1 -1