3-(phenylmethyl)-7-propyl-8-thiophen-2-yl-purine-2,6-dione

Systemtic Name: 3-(phenylmethyl)-7-propyl-8-thiophen-2-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-propyl-8-(2-thienyl)purine-2,6-dione CAS Name: 3-(phenylmethyl)-7-propyl-8-thiophen-2-ylpurine-2,6-dione IUPAC Name: 3-benzyl-7-propyl-8-thiophen-2-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-propyl-8-(2-thienyl)xanthine Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC=CS3)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC=CS3)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H18N4O2S/c1-2-10-22-15-17(20-16(22)14-9-6-11-26-14)23(19(25)21-18(15)24)12-13-7-4-3-5-8-13/h3-9,11H,2,10,12H2,1H3,(H,21,24,25)