N-methyl-N-[4-methyl-1-(5-nitro-1,3-thiazolidin-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-thiazolidin-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-methyl-N-[4-methyl-1-(5-nitrothiazolidin-2-yl)-3-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-methyl-N-[4-methyl-1-(5-nitro-2-thiazolidinyl)-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-methyl-N-[4-methyl-1-(5-nitro-1,3-thiazolidin-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: methyl-[4-methyl-1-(5-nitrothiazolidin-2-yl)-3-piperidyl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C16H23N7O2S MolecularWeight: 377.46452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C4NCC(S4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C4NCC(S4)[N+](=O)[O-]

InChI

InChI=1S/C16H23N7O2S/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/h3,5,9-10,12-13,16,18H,4,6-8H2,1-2H3,(H,17,19,20)