N-(3-methoxypropyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(3-methoxypropyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-methoxypropyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O3/c1-28-13-5-10-21-19-18(25(26)27)20(23-15-22-19)24-11-8-17(9-12-24)14-16-6-3-2-4-7-16/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,21,22,23)