5-nitro-N-(oxolan-2-ylmethyl)-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(oxolan-2-ylmethyl)-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(2-oxolanylmethyl)-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O3/c27-26(28)19-20(22-14-18-7-4-12-29-18)23-15-24-21(19)25-10-8-17(9-11-25)13-16-5-2-1-3-6-16/h1-3,5-6,15,17-18H,4,7-14H2,(H,22,23,24)