(2S)-2-[(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-N-[3-(2-diethylaminoethyloxy)phenyl]propanamide

Systemtic Name: (2S)-2-[(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-N-[3-(2-diethylaminoethyloxy)phenyl]propanamide Openeye Name: (2S)-2-[(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-N-[3-(2-diethylaminoethyloxy)phenyl]propanamide CAS Name: (2S)-2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]amino]-N-[3-(2-diethylaminoethyloxy)phenyl]propanamide IUPAC Name: (2S)-2-[(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(2-diethylaminoethyloxy)phenyl]propanamide Traditional Name: (2S)-2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]amino]-N-[3-(2-diethylaminoethyloxy)phenyl]propionamide Formula: C21H29N7O2S MolecularWeight: 443.56566

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=CC(=C1)NC(=O)C(C)NC2=C(C(=NC(=N2)N)SC)C#N

Isomeric SMILES

CCN(CC)CCOC1=CC=CC(=C1)NC(=O)[C@H](C)NC2=C(C(=NC(=N2)N)SC)C#N

InChI

InChI=1S/C21H29N7O2S/c1-5-28(6-2)10-11-30-16-9-7-8-15(12-16)25-19(29)14(3)24-18-17(13-22)20(31-4)27-21(23)26-18/h7-9,12,14H,5-6,10-11H2,1-4H3,(H,25,29)(H3,23,24,26,27)/t14-/m0/s1