1-[2-methyl-9-(2-methylsulfanyl-4-propan-2-yl-phenyl)-8-oxidanylidene-7H-purin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide

Systemtic Name: 1-[2-methyl-9-(2-methylsulfanyl-4-propan-2-yl-phenyl)-8-oxidanylidene-7H-purin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide Openeye Name: 1-[9-(4-isopropyl-2-methylsulfanyl-phenyl)-2-methyl-8-oxo-7H-purin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide CAS Name: 1-[2-methyl-9-[2-(methylthio)-4-propan-2-ylphenyl]-8-oxo-7H-purin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide IUPAC Name: 1-[2-methyl-9-(2-methylsulfanyl-4-propan-2-ylphenyl)-8-oxo-7H-purin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide Traditional Name: 1-[9-[4-isopropyl-2-(methylthio)phenyl]-8-keto-2-methyl-7H-purin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCC(=CC3)C(=O)N)NC(=O)N2C4=C(C=C(C=C4)C(C)C)SC

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCC(=CC3)C(=O)N)NC(=O)N2C4=C(C=C(C=C4)C(C)C)SC

InChI

InChI=1S/C22H26N6O2S/c1-12(2)15-5-6-16(17(11-15)31-4)28-21-18(26-22(28)30)20(24-13(3)25-21)27-9-7-14(8-10-27)19(23)29/h5-7,11-12H,8-10H2,1-4H3,(H2,23,29)(H,26,30)