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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]amine Formula: C22H25N5O4 MolecularWeight: 423.465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N5O4/c1-15(17-7-5-4-6-8-17)26-22-20(27(28)29)21(24-14-25-22)23-12-11-16-9-10-18(30-2)19(13-16)31-3/h4-10,13-15H,11-12H2,1-3H3,(H2,23,24,25,26)