(2S)-N-[cyano-(2-methoxyphenyl)methyl]-4-methyl-2-[(2-piperazin-1-ylpyrimidin-4-yl)amino]pentanamide

Systemtic Name: (2S)-N-[cyano-(2-methoxyphenyl)methyl]-4-methyl-2-[(2-piperazin-1-ylpyrimidin-4-yl)amino]pentanamide Openeye Name: (2S)-N-[cyano-(2-methoxyphenyl)methyl]-4-methyl-2-[(2-piperazin-1-ylpyrimidin-4-yl)amino]pentanamide CAS Name: (2S)-N-[cyano-(2-methoxyphenyl)methyl]-4-methyl-2-[[2-(1-piperazinyl)-4-pyrimidinyl]amino]pentanamide IUPAC Name: (2S)-N-[cyano-(2-methoxyphenyl)methyl]-4-methyl-2-[(2-piperazin-1-ylpyrimidin-4-yl)amino]pentanamide Traditional Name: (2S)-N-[cyano-(2-methoxyphenyl)methyl]-4-methyl-2-[(2-piperazinopyrimidin-4-yl)amino]valeramide Formula: C23H31N7O2 MolecularWeight: 437.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C#N)C1=CC=CC=C1OC)NC2=NC(=NC=C2)N3CCNCC3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(C#N)C1=CC=CC=C1OC)NC2=NC(=NC=C2)N3CCNCC3

InChI

InChI=1S/C23H31N7O2/c1-16(2)14-18(22(31)28-19(15-24)17-6-4-5-7-20(17)32-3)27-21-8-9-26-23(29-21)30-12-10-25-11-13-30/h4-9,16,18-19,25H,10-14H2,1-3H3,(H,28,31)(H,26,27,29)/t18-,19?/m0/s1