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

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(4,5-dimethylthiazol-2-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N6O2S/c1-11-12(2)26-17(21-11)22-16-14(23(24)25)15(19-10-20-16)18-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H2,18,19,20,21,22)