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

Systemtic Name: 1-[7-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-9-(2-methylsulfanyl-4-propan-2-yl-phenyl)-8-oxidanylidene-purin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide Openeye Name: 1-[7-(2-amino-2-oxo-ethyl)-9-(4-isopropyl-2-methylsulfanyl-phenyl)-2-methyl-8-oxo-purin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide CAS Name: 1-[7-(2-amino-2-oxoethyl)-2-methyl-9-[2-(methylthio)-4-propan-2-ylphenyl]-8-oxo-6-purinyl]-3,6-dihydro-2H-pyridine-4-carboxamide IUPAC Name: 1-[7-(2-amino-2-oxoethyl)-2-methyl-9-(2-methylsulfanyl-4-propan-2-ylphenyl)-8-oxopurin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide Traditional Name: 1-[7-(2-amino-2-keto-ethyl)-9-[4-isopropyl-2-(methylthio)phenyl]-8-keto-2-methyl-purin-6-yl]-3,6-dihydro-2H-pyridine-4-carboxamide Formula: C24H29N7O3S MolecularWeight: 495.59716

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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)CC(=O)N

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)CC(=O)N

InChI

InChI=1S/C24H29N7O3S/c1-13(2)16-5-6-17(18(11-16)35-4)31-23-20(30(24(31)34)12-19(25)32)22(27-14(3)28-23)29-9-7-15(8-10-29)21(26)33/h5-7,11,13H,8-10,12H2,1-4H3,(H2,25,32)(H2,26,33)