(2S)-N-(3-bromophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: (2S)-N-(3-bromophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: (2S)-N-(3-bromophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: (2S)-N-(3-bromophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinecarboxamide IUPAC Name: (2S)-N-(3-bromophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: (2S)-N-(3-bromophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Formula: C19H21BrN6O MolecularWeight: 429.31364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC(=CC=C2)Br)C3=NC=NC4=C3C(=CN4)C

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)NC2=CC(=CC=C2)Br)C3=NC=NC4=C3C(=CN4)C

InChI

InChI=1S/C19H21BrN6O/c1-12-9-21-17-16(12)18(23-11-22-17)25-6-7-26(13(2)10-25)19(27)24-15-5-3-4-14(20)8-15/h3-5,8-9,11,13H,6-7,10H2,1-2H3,(H,24,27)(H,21,22,23)/t13-/m0/s1