N-cyclopentyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-cyclopentyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-cyclopentyl-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopentyl-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-cyclopentyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-cyclopentyl-amine Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2/c27-26(28)19-20(24-18-8-4-5-9-18)22-15-23-21(19)25-12-10-17(11-13-25)14-16-6-2-1-3-7-16/h1-3,6-7,15,17-18H,4-5,8-14H2,(H,22,23,24)