methyl 4-[2,6-bis(oxidanylidene)-3-(phenylmethyl)-7-propyl-purin-8-yl]benzoate

Systemtic Name: methyl 4-[2,6-bis(oxidanylidene)-3-(phenylmethyl)-7-propyl-purin-8-yl]benzoate Openeye Name: methyl 4-(3-benzyl-2,6-dioxo-7-propyl-purin-8-yl)benzoate CAS Name: 4-[2,6-dioxo-3-(phenylmethyl)-7-propyl-8-purinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(3-benzyl-2,6-dioxo-7-propylpurin-8-yl)benzoate Traditional Name: 4-(3-benzyl-2,6-diketo-7-propyl-purin-8-yl)benzoic acid methyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC=C(C=C3)C(=O)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC=C(C=C3)C(=O)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4/c1-3-13-26-18-20(24-19(26)16-9-11-17(12-10-16)22(29)31-2)27(23(30)25-21(18)28)14-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,25,28,30)