(2S)-2-azanyl-4-methyl-N-[4-(2-piperazin-1-ylpyrimidin-5-yl)-1,2-thiazol-3-yl]pentanamide

Systemtic Name: (2S)-2-azanyl-4-methyl-N-[4-(2-piperazin-1-ylpyrimidin-5-yl)-1,2-thiazol-3-yl]pentanamide Openeye Name: (2S)-2-amino-4-methyl-N-[4-(2-piperazin-1-ylpyrimidin-5-yl)isothiazol-3-yl]pentanamide CAS Name: (2S)-2-amino-4-methyl-N-[4-[2-(1-piperazinyl)-5-pyrimidinyl]-3-isothiazolyl]pentanamide IUPAC Name: (2S)-2-amino-4-methyl-N-[4-(2-piperazin-1-ylpyrimidin-5-yl)-1,2-thiazol-3-yl]pentanamide Traditional Name: (2S)-2-amino-4-methyl-N-[4-(2-piperazinopyrimidin-5-yl)isothiazol-3-yl]valeramide Formula: C17H25N7OS MolecularWeight: 375.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=NSC=C1C2=CN=C(N=C2)N3CCNCC3)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=NSC=C1C2=CN=C(N=C2)N3CCNCC3)N

InChI

InChI=1S/C17H25N7OS/c1-11(2)7-14(18)16(25)22-15-13(10-26-23-15)12-8-20-17(21-9-12)24-5-3-19-4-6-24/h8-11,14,19H,3-7,18H2,1-2H3,(H,22,23,25)/t14-/m0/s1