8397 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 7 7 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 12 13 10 12 9 11 14 8 12 15 9 13 10 11 11 17 18 9 10 13 16 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 4.269 7.7991 4.269 6.029 6.029 3.403 2.5369 5.135 5.135 4.269 3.403 6.935 6.935 4.269 6.0218 7.4708 2 2.5369 -1.81 -0.8342 1.19 -0.8447 1.2247 -0.31 1.19 -0.31 0.69 -0.81 0.69 -0.3308 0.7108 1.81 -1.4646 1.0229 0.88 1.81 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 6 6 8 8 12 9 11 8 12 9 13 10 11 9 10 13 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 392 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 000003718063B000000000000000000000000000000000000000204000000000000000800000001E00100000000808C18004010002C00000A800157174008000010000000100008000408040000000201000000014008000400000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-1,5-dihydropteridine-4,6-dione IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-1,5-dihydropteridine-4,6-dione IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-1,5-dihydropteridine-4,6-dione IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-1,5-dihydropteridine-4,6-dione IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-azanyl-1,5-dihydropteridine-4,6-dione IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-1,5-dihydropteridine-4,6-quinone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VURKRJGMSKJIQX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 179.04432442 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H5N5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 179.14 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=NC2=C(C(=O)N=C(N2)N)NC1=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=NC2=C(C(=O)N=C(N2)N)NC1=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 109 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 179.04432442 13 0 0 0 0 0 0 0 1 -1