(E)-3-azanyl-1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-azanyl-1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-amino-1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidyl]prop-2-en-1-one CAS Name: (E)-3-amino-1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-amino-1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-amino-1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidino]prop-2-en-1-one Formula: C16H22N6O MolecularWeight: 314.38548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)C=CN

Isomeric SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)/C=C/N

InChI

InChI=1S/C16H22N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h3-4,6-7,10-11,13H,5,8-9,17H2,1-2H3,(H,18,19,20)/b6-3+/t11-,13+/m1/s1