3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]propanamide

Systemtic Name: 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]propanamide Openeye Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide CAS Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide IUPAC Name: 3-(2-amino-6-oxo-3H-purin-9-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide Traditional Name: 3-(2-amino-6-keto-3H-purin-9-yl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propionamide Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCNC(=O)CCN2C=NC3=C2NC(=NC3=O)N)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCNC(=O)CCN2C=NC3=C2NC(=NC3=O)N)O)O

InChI

InChI=1S/C16H18N6O4/c17-16-20-14-13(15(26)21-16)19-8-22(14)6-4-12(25)18-5-3-9-1-2-10(23)11(24)7-9/h1-2,7-8,23-24H,3-6H2,(H,18,25)(H3,17,20,21,26)