N-(diphenylmethyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(diphenylmethyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-benzhydryl-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(diphenylmethyl)-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-benzhydryl-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-benzhydryl-2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]acetamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H23N5O3S/c1-26-19-20(27(2)23(31)28(3)21(19)30)25-22(26)32-14-17(29)24-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,18H,14H2,1-3H3,(H,24,29)