[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C17H16ClN5O5 MolecularWeight: 405.79244

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H16ClN5O5/c1-21-15-14(16(26)22(2)17(21)27)23(9-19-15)7-13(25)28-8-12(24)20-11-5-3-4-10(18)6-11/h3-6,9H,7-8H2,1-2H3,(H,20,24)