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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C26H26N6O4 MolecularWeight: 486.52244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-])OC

InChI

InChI=1S/C26H26N6O4/c1-35-21-12-11-19(16-22(21)36-2)13-15-28-25-24(32(33)34)26(30-18-29-25)31(23-10-6-7-14-27-23)17-20-8-4-3-5-9-20/h3-12,14,16,18H,13,15,17H2,1-2H3,(H,28,29,30)