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

Systemtic Name: (2S)-N-(4-aminocarbonylphenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: (2S)-N-(4-carbamoylphenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: (2S)-N-(4-carbamoylphenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinecarboxamide IUPAC Name: (2S)-N-(4-carbamoylphenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: (2S)-N-(4-carbamoylphenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N7O2/c1-12-9-22-18-16(12)19(24-11-23-18)26-7-8-27(13(2)10-26)20(29)25-15-5-3-14(4-6-15)17(21)28/h3-6,9,11,13H,7-8,10H2,1-2H3,(H2,21,28)(H,25,29)(H,22,23,24)/t13-/m0/s1