N4-(2-methylquinolin-8-yl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylquinolin-8-yl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-methyl-8-quinolyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(2-methyl-8-quinolinyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylquinolin-8-yl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: (2-methyl-8-quinolyl)-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C20H17N7O2 MolecularWeight: 387.39468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-])C=C1

InChI

InChI=1S/C20H17N7O2/c1-13-7-8-15-5-2-6-16(17(15)25-13)26-20-18(27(28)29)19(23-12-24-20)22-11-14-4-3-9-21-10-14/h2-10,12H,11H2,1H3,(H2,22,23,24,26)