N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]-homoveratryl-amine Formula: C21H29N5O4 MolecularWeight: 415.48606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O4/c1-4-16-7-5-6-12-25(16)21-19(26(27)28)20(23-14-24-21)22-11-10-15-8-9-17(29-2)18(13-15)30-3/h8-9,13-14,16H,4-7,10-12H2,1-3H3,(H,22,23,24)