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

Systemtic Name: N6-(2-methylquinolin-8-yl)-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-isopropyl-N6-(2-methyl-8-quinolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-methyl-8-quinolinyl)-5-nitro-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-(2-methylquinolin-8-yl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: isopropyl-[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O2/c1-10(2)20-16-15(23(24)25)17(19-9-18-16)22-13-6-4-5-12-8-7-11(3)21-14(12)13/h4-10H,1-3H3,(H2,18,19,20,22)