7-butyl-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-1-[2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-butyl-1-[2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-1-[2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl]xanthine Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3S/c1-4-5-11-26-15-25-22-21(26)23(30)28(14-20(29)19-12-16(2)32-17(19)3)24(31)27(22)13-18-9-7-6-8-10-18/h6-10,12,15H,4-5,11,13-14H2,1-3H3