6-[1-[2-azanyl-6-(4-methylphenyl)sulfanyl-pyrimidin-4-yl]piperidin-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[2-azanyl-6-(4-methylphenyl)sulfanyl-pyrimidin-4-yl]piperidin-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-[2-amino-6-(p-tolylsulfanyl)pyrimidin-4-yl]-4-piperidyl]-1H-pyrimidin-4-one CAS Name: 6-[1-[2-amino-6-[(4-methylphenyl)thio]-4-pyrimidinyl]-4-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-[2-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]piperidin-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-[2-amino-6-(p-tolylthio)pyrimidin-4-yl]-4-piperidyl]-1H-pyrimidin-4-one Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=NC(=C2)N3CCC(CC3)C4=CC(=O)N=CN4)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=NC(=C2)N3CCC(CC3)C4=CC(=O)N=CN4)N

InChI

InChI=1S/C20H22N6OS/c1-13-2-4-15(5-3-13)28-19-11-17(24-20(21)25-19)26-8-6-14(7-9-26)16-10-18(27)23-12-22-16/h2-5,10-12,14H,6-9H2,1H3,(H2,21,24,25)(H,22,23,27)