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

Systemtic Name: 7-butyl-1-[2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-1-[2-(5-ethyl-2-thienyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-butyl-1-[2-(5-ethyl-2-thiophenyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-1-[2-(5-ethyl-2-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=CC=C(S4)CC

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=C(S4)CC

InChI

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