1043 1 2 3 4 5 6 7 8 9 10 11 12 13 14 7 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 2 2 3 3 4 4 5 5 7 8 8 9 10 5 8 6 9 6 10 7 10 6 7 11 9 12 13 14 2 1 2 1 1 2 2 1 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 4.626 4.626 2.866 2 3.732 3.732 2.866 5.5321 5.5321 2 2.866 6.0678 6.0678 1.4631 1.0347 -1.0347 -1 0.5 0.5 -0.5 1 0.5208 -0.5208 -0.5 1.62 0.8329 -0.8329 -0.81 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 3 4 4 5 5 8 5 8 6 9 6 10 7 10 6 7 9 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 116 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371806380000000000000000000000000000000000000002C5800000000000000B1F800001C00000000000808C117042DF0BE081000A0011667640080802D1112A00950203874108048C0404840140408080002C000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pteridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pteridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pteridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pteridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pteridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pteridine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CPNGPNLZQNNVQM-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.043596145 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H4N4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.12 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CN=C2C(=N1)C=NC=N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CN=C2C(=N1)C=NC=N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 51.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.043596145 10 0 0 0 0 0 0 0 1 -1