tert-butyl 8-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)-1-propyl-4,5-dihydropurine-7-carboxylate

Systemtic Name: tert-butyl 8-cyclopentyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)-1-propyl-4,5-dihydropurine-7-carboxylate Openeye Name: tert-butyl 3-benzyl-8-cyclopentyl-2,6-dioxo-1-propyl-4,5-dihydropurine-7-carboxylate CAS Name: 8-cyclopentyl-2,6-dioxo-3-(phenylmethyl)-1-propyl-4,5-dihydropurine-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzyl-8-cyclopentyl-2,6-dioxo-1-propyl-4,5-dihydropurine-7-carboxylate Traditional Name: 3-benzyl-8-cyclopentyl-2,6-diketo-1-propyl-4,5-dihydropurine-7-carboxylic acid tert-butyl ester Formula: C25H34N4O4 MolecularWeight: 454.56186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2C(N=C(N2C(=O)OC(C)(C)C)C3CCCC3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2C(N=C(N2C(=O)OC(C)(C)C)C3CCCC3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O4/c1-5-15-27-22(30)19-21(28(23(27)31)16-17-11-7-6-8-12-17)26-20(18-13-9-10-14-18)29(19)24(32)33-25(2,3)4/h6-8,11-12,18-19,21H,5,9-10,13-16H2,1-4H3