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

Systemtic Name: 1-[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[2-(5-chloro-2-thienyl)-2-oxo-ethyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[2-(5-chloro-2-thiophenyl)-2-oxoethyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-1-[2-(5-chloro-2-thienyl)-2-keto-ethyl]-7-ethyl-xanthine Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H17ClN4O3S/c1-2-23-12-22-18-17(23)19(27)25(11-14(26)15-8-9-16(21)29-15)20(28)24(18)10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3