methyl 2-[8-[(4-methoxyphenyl)amino]-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: methyl 2-[8-[(4-methoxyphenyl)amino]-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: methyl 2-[8-(4-methoxyanilino)-3-methyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[8-(4-methoxyanilino)-3-methyl-2,6-dioxo-7-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-(4-methoxyanilino)-3-methyl-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[2,6-diketo-3-methyl-8-(p-anisidino)purin-7-yl]acetic acid methyl ester Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=CC=C(C=C3)OC)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3=CC=C(C=C3)OC)CC(=O)OC

InChI

InChI=1S/C16H17N5O5/c1-20-13-12(14(23)19-16(20)24)21(8-11(22)26-3)15(18-13)17-9-4-6-10(25-2)7-5-9/h4-7H,8H2,1-3H3,(H,17,18)(H,19,23,24)