N-methyl-N-[4-methyl-1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-methyl-N-[4-methyl-1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-methyl-N-[4-methyl-1-(5-nitrothiazol-2-yl)-3-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-methyl-N-[4-methyl-1-(5-nitro-2-thiazolyl)-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-methyl-N-[4-methyl-1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: methyl-[4-methyl-1-(5-nitrothiazol-2-yl)-3-piperidyl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C16H19N7O2S MolecularWeight: 373.43276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C4=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C16H19N7O2S/c1-10-4-6-22(16-18-7-13(26-16)23(24)25)8-12(10)21(2)15-11-3-5-17-14(11)19-9-20-15/h3,5,7,9-10,12H,4,6,8H2,1-2H3,(H,17,19,20)