4-(4-tert-butylphenyl)-6-[3-(dimethylamino)propylamino]-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-tert-butylphenyl)-6-[3-(dimethylamino)propylamino]-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-tert-butylphenyl)-6-[3-(dimethylamino)propylamino]-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-tert-butylphenyl)-6-[3-(dimethylamino)propylamino]-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-tert-butylphenyl)-6-[3-(dimethylamino)propylamino]-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-tert-butylphenyl)-6-[3-(dimethylamino)propylamino]-2-(methylthio)pyrimidine-5-carbonitrile Formula: C21H29N5S MolecularWeight: 383.55346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCCN(C)C)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NCCCN(C)C)C#N

InChI

InChI=1S/C21H29N5S/c1-21(2,3)16-10-8-15(9-11-16)18-17(14-22)19(25-20(24-18)27-6)23-12-7-13-26(4)5/h8-11H,7,12-13H2,1-6H3,(H,23,24,25)