(2S)-N-(cyanomethyl)-4-methyl-2-[[2-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-4-yl]amino]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-4-yl]amino]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-[methyl(3-pyridylmethyl)amino]pyrimidin-4-yl]amino]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-[methyl(3-pyridinylmethyl)amino]-4-pyrimidinyl]amino]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-[methyl(pyridin-3-ylmethyl)amino]pyrimidin-4-yl]amino]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[2-[methyl(3-pyridylmethyl)amino]pyrimidin-4-yl]amino]valeramide Formula: C19H25N7O MolecularWeight: 367.4481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=NC(=NC=C1)N(C)CC2=CN=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC1=NC(=NC=C1)N(C)CC2=CN=CC=C2

InChI

InChI=1S/C19H25N7O/c1-14(2)11-16(18(27)22-10-7-20)24-17-6-9-23-19(25-17)26(3)13-15-5-4-8-21-12-15/h4-6,8-9,12,14,16H,10-11,13H2,1-3H3,(H,22,27)(H,23,24,25)/t16-/m0/s1