1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-nitro-propan-1-one

Systemtic Name: 1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-nitro-propan-1-one Openeye Name: 1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidyl]-3-nitro-propan-1-one CAS Name: 1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl]-3-nitro-1-propanone IUPAC Name: 1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-nitropropan-1-one Traditional Name: 1-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidino]-3-nitro-propan-1-one Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O3/c1-11-4-7-21(14(23)5-8-22(24)25)9-13(11)20(2)16-12-3-6-17-15(12)18-10-19-16/h3,6,10-11,13H,4-5,7-9H2,1-2H3,(H,17,18,19)