N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N4-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H18N6O4 MolecularWeight: 430.41612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC5=C(C=C4)OCCO5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC5=C(C=C4)OCCO5)C=C1

InChI

InChI=1S/C22H18N6O4/c1-13-5-6-14-3-2-4-16(19(14)25-13)27-22-20(28(29)30)21(23-12-24-22)26-15-7-8-17-18(11-15)32-10-9-31-17/h2-8,11-12H,9-10H2,1H3,(H2,23,24,26,27)