(2S)-2-[(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-N-[3-(4-methylpiperazin-1-yl)carbonylphenyl]propanamide

Systemtic Name: (2S)-2-[(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-N-[3-(4-methylpiperazin-1-yl)carbonylphenyl]propanamide Openeye Name: (2S)-2-[(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide CAS Name: (2S)-2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]amino]-N-[3-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]propanamide IUPAC Name: (2S)-2-[(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide Traditional Name: (2S)-2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]amino]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propionamide Formula: C21H26N8O2S MolecularWeight: 454.54854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C)NC3=C(C(=NC(=N3)N)SC)C#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C)NC3=C(C(=NC(=N3)N)SC)C#N

InChI

InChI=1S/C21H26N8O2S/c1-13(24-17-16(12-22)19(32-3)27-21(23)26-17)18(30)25-15-6-4-5-14(11-15)20(31)29-9-7-28(2)8-10-29/h4-6,11,13H,7-10H2,1-3H3,(H,25,30)(H3,23,24,26,27)/t13-/m0/s1