4-[4-azanyl-6-[3,4-bis(oxidanyl)phenyl]-5,8-dihydropteridin-7-yl]cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-[4-azanyl-6-[3,4-bis(oxidanyl)phenyl]-5,8-dihydropteridin-7-yl]cyclohexa-3,5-diene-1,2-dione Openeye Name: 4-[4-amino-6-(3,4-dihydroxyphenyl)-5,8-dihydropteridin-7-yl]-1,2-benzoquinone CAS Name: 4-[4-amino-6-(3,4-dihydroxyphenyl)-5,8-dihydropteridin-7-yl]cyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-[4-amino-6-(3,4-dihydroxyphenyl)-5,8-dihydropteridin-7-yl]cyclohexa-3,5-diene-1,2-dione Traditional Name: 4-[4-amino-6-(3,4-dihydroxyphenyl)-5,8-dihydropteridin-7-yl]-o-benzoquinone Formula: C18H13N5O4 MolecularWeight: 363.32692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(NC3=C(N2)C(=NC=N3)N)C4=CC(=O)C(=O)C=C4)O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=C(NC3=C(N2)C(=NC=N3)N)C4=CC(=O)C(=O)C=C4)O)O

InChI

InChI=1S/C18H13N5O4/c19-17-16-18(21-7-20-17)23-15(9-2-4-11(25)13(27)6-9)14(22-16)8-1-3-10(24)12(26)5-8/h1-7,22,24,26H,(H3,19,20,21,23)