methyl 3-[2,6-bis(oxidanylidene)-7-(phenylmethyl)-1,3-dipropyl-purin-8-yl]cyclopentane-1-carboxylate

Systemtic Name: methyl 3-[2,6-bis(oxidanylidene)-7-(phenylmethyl)-1,3-dipropyl-purin-8-yl]cyclopentane-1-carboxylate Openeye Name: methyl 3-(7-benzyl-2,6-dioxo-1,3-dipropyl-purin-8-yl)cyclopentanecarboxylate CAS Name: 3-[2,6-dioxo-7-(phenylmethyl)-1,3-dipropyl-8-purinyl]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl 3-(7-benzyl-2,6-dioxo-1,3-dipropylpurin-8-yl)cyclopentane-1-carboxylate Traditional Name: 3-(7-benzyl-2,6-diketo-1,3-dipropyl-purin-8-yl)cyclopentanecarboxylic acid methyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3CCC(C3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3CCC(C3)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4/c1-4-13-27-22-20(23(30)28(14-5-2)25(27)32)29(16-17-9-7-6-8-10-17)21(26-22)18-11-12-19(15-18)24(31)33-3/h6-10,18-19H,4-5,11-16H2,1-3H3