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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: homoveratryl-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4/c1-14-6-4-5-11-24(14)20-18(25(26)27)19(22-13-23-20)21-10-9-15-7-8-16(28-2)17(12-15)29-3/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,21,22,23)