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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

InChI

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