methyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-[(phenylmethyl)amino]purin-7-yl]ethanoate

Systemtic Name: methyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-[(phenylmethyl)amino]purin-7-yl]ethanoate Openeye Name: methyl 2-[8-(benzylamino)-3-methyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[3-methyl-2,6-dioxo-8-[(phenylmethyl)amino]-7-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-(benzylamino)-3-methyl-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[8-(benzylamino)-2,6-diketo-3-methyl-purin-7-yl]acetic acid methyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C16H17N5O4/c1-20-13-12(14(23)19-16(20)24)21(9-11(22)25-2)15(18-13)17-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,18)(H,19,23,24)