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

Systemtic Name: N-methyl-N-[4-methyl-1-(5-nitropyridin-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-methyl-N-[4-methyl-1-(5-nitro-2-pyridyl)-3-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-methyl-N-[4-methyl-1-(5-nitro-2-pyridinyl)-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-methyl-N-[4-methyl-1-(5-nitropyridin-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: methyl-[4-methyl-1-(5-nitro-2-pyridyl)-3-piperidyl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C18H21N7O2 MolecularWeight: 367.40504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O2/c1-12-6-8-24(16-4-3-13(9-20-16)25(26)27)10-15(12)23(2)18-14-5-7-19-17(14)21-11-22-18/h3-5,7,9,11-12,15H,6,8,10H2,1-2H3,(H,19,21,22)