N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amine Formula: C23H22N6O4 MolecularWeight: 446.45858

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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=CC4=C3N=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4)OC

InChI

InChI=1S/C23H22N6O4/c1-32-18-9-8-15(13-19(18)33-2)10-12-25-22-21(29(30)31)23(27-14-26-22)28-17-7-3-5-16-6-4-11-24-20(16)17/h3-9,11,13-14H,10,12H2,1-2H3,(H2,25,26,27,28)