[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-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-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-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-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18ClN5O5 MolecularWeight: 419.81902

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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)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN5O5/c1-22-16-15(17(27)23(2)18(22)28)24(10-21-16)8-14(26)29-9-13(25)20-7-11-3-5-12(19)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,20,25)