N-(4-chlorophenyl)-5-nitro-4-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine

Systemtic Name: N-(4-chlorophenyl)-5-nitro-4-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine Openeye Name: N-(4-chlorophenyl)-5-nitro-4-[3-(pyrrolidin-1-ylmethyl)-1-piperidyl]pyrimidin-2-amine CAS Name: N-(4-chlorophenyl)-5-nitro-4-[3-(1-pyrrolidinylmethyl)-1-piperidinyl]-2-pyrimidinamine IUPAC Name: N-(4-chlorophenyl)-5-nitro-4-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine Traditional Name: (4-chlorophenyl)-[5-nitro-4-[3-(pyrrolidinomethyl)piperidino]pyrimidin-2-yl]amine Formula: C20H25ClN6O2 MolecularWeight: 416.9045

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN(C2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)CC2CCCN(C2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H25ClN6O2/c21-16-5-7-17(8-6-16)23-20-22-12-18(27(28)29)19(24-20)26-11-3-4-15(14-26)13-25-9-1-2-10-25/h5-8,12,15H,1-4,9-11,13-14H2,(H,22,23,24)