N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methoxyphenyl)methyl]-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(p-anisylamino)pyrimidin-4-yl]-(8-quinolyl)amine Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H18N6O3/c1-30-16-9-7-14(8-10-16)12-23-20-19(27(28)29)21(25-13-24-20)26-17-6-2-4-15-5-3-11-22-18(15)17/h2-11,13H,12H2,1H3,(H2,23,24,25,26)