3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]propanamide

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(1-methyl-2-imidazolyl)-phenylmethyl]propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]propionamide Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H23N7O3/c1-25-12-10-22-18(25)16(14-7-5-4-6-8-14)24-15(29)9-11-28-13-23-19-17(28)20(30)27(3)21(31)26(19)2/h4-8,10,12-13,16H,9,11H2,1-3H3,(H,24,29)