9-(3,4-dimethylphenyl)-8-oxidanylidene-2-thiophen-2-yl-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dimethylphenyl)-8-oxidanylidene-2-thiophen-2-yl-7H-purine-6-carboxamide Openeye Name: 9-(3,4-dimethylphenyl)-8-oxo-2-(2-thienyl)-7H-purine-6-carboxamide CAS Name: 9-(3,4-dimethylphenyl)-8-oxo-2-thiophen-2-yl-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dimethylphenyl)-8-oxo-2-thiophen-2-yl-7H-purine-6-carboxamide Traditional Name: 9-(3,4-dimethylphenyl)-8-keto-2-(2-thienyl)-7H-purine-6-carboxamide Formula: C18H15N5O2S MolecularWeight: 365.409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=CS4)C

InChI

InChI=1S/C18H15N5O2S/c1-9-5-6-11(8-10(9)2)23-17-14(21-18(23)25)13(15(19)24)20-16(22-17)12-4-3-7-26-12/h3-8H,1-2H3,(H2,19,24)(H,21,25)