7-butyl-1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-1-[2-(4-methoxyphenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-butyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-1-[2-keto-2-(4-methoxyphenyl)ethyl]xanthine Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H26N4O4/c1-3-4-14-27-17-26-23-22(27)24(31)29(16-21(30)19-10-12-20(33-2)13-11-19)25(32)28(23)15-18-8-6-5-7-9-18/h5-13,17H,3-4,14-16H2,1-2H3