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

Systemtic Name: methyl 3-[2,6-bis(oxidanylidene)-1-(phenylmethyl)-7H-purin-3-yl]-2-methyl-benzoate Openeye Name: methyl 3-(1-benzyl-2,6-dioxo-7H-purin-3-yl)-2-methyl-benzoate CAS Name: 3-[2,6-dioxo-1-(phenylmethyl)-7H-purin-3-yl]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(1-benzyl-2,6-dioxo-7H-purin-3-yl)-2-methylbenzoate Traditional Name: 3-(1-benzyl-2,6-diketo-7H-purin-3-yl)-2-methyl-benzoic acid methyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3)C(=O)OC

InChI

InChI=1S/C21H18N4O4/c1-13-15(20(27)29-2)9-6-10-16(13)25-18-17(22-12-23-18)19(26)24(21(25)28)11-14-7-4-3-5-8-14/h3-10,12H,11H2,1-2H3,(H,22,23)