2-methylsulfanyl-4-phenyl-6-[(4-pyrrolidin-1-ylphenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-phenyl-6-[(4-pyrrolidin-1-ylphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carbonitrile CAS Name: 2-(methylthio)-4-phenyl-6-[4-(1-pyrrolidinyl)anilino]-5-pyrimidinecarbonitrile IUPAC Name: 2-methylsulfanyl-4-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-phenyl-6-(4-pyrrolidinoanilino)pyrimidine-5-carbonitrile Formula: C22H21N5S MolecularWeight: 387.50064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NC2=CC=C(C=C2)N3CCCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=C(C(=N1)NC2=CC=C(C=C2)N3CCCC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5S/c1-28-22-25-20(16-7-3-2-4-8-16)19(15-23)21(26-22)24-17-9-11-18(12-10-17)27-13-5-6-14-27/h2-4,7-12H,5-6,13-14H2,1H3,(H,24,25,26)