N6-(2-methoxyphenyl)-N4-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2-methoxyphenyl)-N4-(2-methylquinolin-8-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-methoxyphenyl)-N4-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-methoxyphenyl)-N4-(2-methyl-8-quinolinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-methoxyphenyl)-4-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methoxyphenyl)-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=CC=CC=C4OC)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=CC=CC=C4OC)[N+](=O)[O-])C=C1

InChI

InChI=1S/C21H18N6O3/c1-13-10-11-14-6-5-8-16(18(14)24-13)26-21-19(27(28)29)20(22-12-23-21)25-15-7-3-4-9-17(15)30-2/h3-12H,1-2H3,(H2,22,23,25,26)