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

Systemtic Name: 4-[3-(dimethylamino)propylsulfanyl]-2-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carbonitrile Openeye Name: 4-[3-(dimethylamino)propylsulfanyl]-2-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carbonitrile CAS Name: 4-[3-(dimethylamino)propylthio]-2-(4-methoxyphenyl)-6-methyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[3-(dimethylamino)propylsulfanyl]-2-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile Traditional Name: 4-[3-(dimethylamino)propylthio]-2-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carbonitrile Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4OS/c1-13-16(12-19)18(24-11-5-10-22(2)3)21-17(20-13)14-6-8-15(23-4)9-7-14/h6-9H,5,10-11H2,1-4H3