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

Systemtic Name: 1-[2,7-dimethyl-9-(2-methylsulfanyl-4-propan-2-yl-phenyl)-8-oxidanylidene-purin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide Openeye Name: 1-[9-(4-isopropyl-2-methylsulfanyl-phenyl)-2,7-dimethyl-8-oxo-purin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide CAS Name: 1-[2,7-dimethyl-9-[2-(methylthio)-4-propan-2-ylphenyl]-8-oxo-6-purinyl]-3,6-dihydro-2H-pyridine-4-carboxamide IUPAC Name: 1-[2,7-dimethyl-9-(2-methylsulfanyl-4-propan-2-ylphenyl)-8-oxopurin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide Traditional Name: 1-[9-[4-isopropyl-2-(methylthio)phenyl]-8-keto-2,7-dimethyl-purin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O2S/c1-13(2)16-6-7-17(18(12-16)32-5)29-22-19(27(4)23(29)31)21(25-14(3)26-22)28-10-8-15(9-11-28)20(24)30/h6-8,12-13H,9-11H2,1-5H3,(H2,24,30)