N-[(1S)-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-3,5-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(1S)-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-3,5-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide Openeye Name: N-[(1S)-1-(3-chlorophenyl)-2-hydroxy-ethyl]-3,5-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide CAS Name: N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(1-piperazinyl)-4-pyrimidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide Traditional Name: N-[(1S)-1-(3-chlorophenyl)-2-hydroxy-ethyl]-3,5-dimethyl-4-(2-piperazinopyrimidin-4-yl)-1H-pyrrole-2-carboxamide Formula: C23H27ClN6O2 MolecularWeight: 454.95248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C2=NC(=NC=C2)N3CCNCC3)C)C(=O)NC(CO)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(NC(=C1C2=NC(=NC=C2)N3CCNCC3)C)C(=O)N[C@H](CO)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H27ClN6O2/c1-14-20(18-6-7-26-23(29-18)30-10-8-25-9-11-30)15(2)27-21(14)22(32)28-19(13-31)16-4-3-5-17(24)12-16/h3-7,12,19,25,27,31H,8-11,13H2,1-2H3,(H,28,32)/t19-/m1/s1