2-(4-chlorophenyl)-4-[3-(dimethylamino)propylsulfanyl]-6-methyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-(4-chlorophenyl)-4-[3-(dimethylamino)propylsulfanyl]-6-methyl-pyrimidine-5-carbonitrile Openeye Name: 2-(4-chlorophenyl)-4-[3-(dimethylamino)propylsulfanyl]-6-methyl-pyrimidine-5-carbonitrile CAS Name: 2-(4-chlorophenyl)-4-[3-(dimethylamino)propylthio]-6-methyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-chlorophenyl)-4-[3-(dimethylamino)propylsulfanyl]-6-methylpyrimidine-5-carbonitrile Traditional Name: 2-(4-chlorophenyl)-4-[3-(dimethylamino)propylthio]-6-methyl-pyrimidine-5-carbonitrile Formula: C17H19ClN4S MolecularWeight: 346.87756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)SCCCN(C)C)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)SCCCN(C)C)C#N

InChI

InChI=1S/C17H19ClN4S/c1-12-15(11-19)17(23-10-4-9-22(2)3)21-16(20-12)13-5-7-14(18)8-6-13/h5-8H,4,9-10H2,1-3H3