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

Systemtic Name: N-butyl-N-methyl-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-butyl-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-N-methyl-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-butyl-N-methyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-butyl-methyl-amine Formula: C21H29N5O2 MolecularWeight: 383.48726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-3-4-12-24(2)20-19(26(27)28)21(23-16-22-20)25-13-10-18(11-14-25)15-17-8-6-5-7-9-17/h5-9,16,18H,3-4,10-15H2,1-2H3