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

Systemtic Name: N6-(2-methylquinolin-8-yl)-5-nitro-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: N6-(2-methyl-8-quinolyl)-5-nitro-N4-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: N6-(2-methyl-8-quinolinyl)-5-nitro-N4-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2-methylquinolin-8-yl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: (2-methyl-8-quinolyl)-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amine Formula: C17H13N7O2S MolecularWeight: 379.39582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=NC=CS4)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)NC4=NC=CS4)[N+](=O)[O-])C=C1

InChI

InChI=1S/C17H13N7O2S/c1-10-5-6-11-3-2-4-12(13(11)21-10)22-15-14(24(25)26)16(20-9-19-15)23-17-18-7-8-27-17/h2-9H,1H3,(H2,18,19,20,22,23)