N4-(2-methylquinolin-5-yl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylquinolin-5-yl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-5-quinolyl)-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(2-methyl-5-quinolinyl)-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylquinolin-5-yl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: (2-methyl-5-quinolyl)-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amine Formula: C19H20N6O3 MolecularWeight: 380.4005

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCC4CCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)NCC4CCCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3/c1-12-7-8-14-15(23-12)5-2-6-16(14)24-19-17(25(26)27)18(21-11-22-19)20-10-13-4-3-9-28-13/h2,5-8,11,13H,3-4,9-10H2,1H3,(H2,20,21,22,24)