4-methyl-6-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-methyl-6-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-methyl-6-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-methyl-6-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-methyl-6-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC(=NC(=C2C#N)C)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC(=NC(=C2C#N)C)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-14-7-6-10-24(12-14)18(25)13-26-20-17(11-21)15(2)22-19(23-20)16-8-4-3-5-9-16/h3-5,8-9,14H,6-7,10,12-13H2,1-2H3/t14-/m0/s1