N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C21H30N6O4 MolecularWeight: 430.5007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NCCN3CCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H30N6O4/c1-30-17-7-6-16(14-18(17)31-2)8-9-22-20-19(27(28)29)21(25-15-24-20)23-10-13-26-11-4-3-5-12-26/h6-7,14-15H,3-5,8-13H2,1-2H3,(H2,22,23,24,25)