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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amine Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O4/c1-28-15-6-5-13(10-16(15)29-2)7-9-21-18-17(25(26)27)19(23-12-22-18)24-14-4-3-8-20-11-14/h3-6,8,10-12H,7,9H2,1-2H3,(H2,21,22,23,24)