methyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylamino]benzoate

Systemtic Name: methyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylamino]benzoate Openeye Name: methyl 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylamino]benzoate CAS Name: 2-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]benzoate Traditional Name: 2-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethylamino]benzoic acid methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C17H19N5O4/c1-20-14-13(15(23)21(2)17(20)25)22(10-19-14)9-8-18-12-7-5-4-6-11(12)16(24)26-3/h4-7,10,18H,8-9H2,1-3H3