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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C20H20N6O6 MolecularWeight: 440.4094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N6O6/c1-31-16-7-6-13(10-17(16)32-2)8-9-21-19-18(26(29)30)20(23-12-22-19)24-14-4-3-5-15(11-14)25(27)28/h3-7,10-12H,8-9H2,1-2H3,(H2,21,22,23,24)