[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C17H13N7O4 MolecularWeight: 379.32962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C17H13N7O4/c1-8(15(25)22-14-12-13(19-6-18-12)20-7-21-14)28-17(27)11-9-4-2-3-5-10(9)16(26)24-23-11/h2-8H,1H3,(H,24,26)(H2,18,19,20,21,22,25)