9-(3-methoxyphenyl)-2-(3-methylthiophen-2-yl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(3-methoxyphenyl)-2-(3-methylthiophen-2-yl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(3-methoxyphenyl)-2-(3-methyl-2-thienyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3-methoxyphenyl)-2-(3-methyl-2-thiophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(3-methoxyphenyl)-2-(3-methylthiophen-2-yl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 8-keto-9-(3-methoxyphenyl)-2-(3-methyl-2-thienyl)-7H-purine-6-carboxamide Formula: C18H15N5O3S MolecularWeight: 381.4084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=CC=C4)OC)C(=O)N

Isomeric SMILES

CC1=C(SC=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=CC=C4)OC)C(=O)N

InChI

InChI=1S/C18H15N5O3S/c1-9-6-7-27-14(9)16-20-12(15(19)24)13-17(22-16)23(18(25)21-13)10-4-3-5-11(8-10)26-2/h3-8H,1-2H3,(H2,19,24)(H,21,25)