2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]-N-p-phenetyl-acetamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H19N5O4S/c1-4-26-11-7-5-10(6-8-11)18-12(23)9-27-16-19-13-14(20-16)21(2)17(25)22(3)15(13)24/h5-8H,4,9H2,1-3H3,(H,18,23)(H,19,20)