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

Systemtic Name: (2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-propan-2-yloxyphenyl)piperazine-1-carboxamide Openeye Name: (2S)-N-(3-isopropoxyphenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: (2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-propan-2-yloxyphenyl)-1-piperazinecarboxamide IUPAC Name: (2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-propan-2-yloxyphenyl)piperazine-1-carboxamide Traditional Name: (2S)-N-(3-isopropoxyphenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O2/c1-14(2)30-18-7-5-6-17(10-18)26-22(29)28-9-8-27(12-16(28)4)21-19-15(3)11-23-20(19)24-13-25-21/h5-7,10-11,13-14,16H,8-9,12H2,1-4H3,(H,26,29)(H,23,24,25)/t16-/m0/s1