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

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(4,5-dimethylthiazol-2-yl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C15H15N7O2S MolecularWeight: 357.3903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C15H15N7O2S/c1-9-10(2)25-15(20-9)21-14-12(22(23)24)13(18-8-19-14)17-7-11-4-3-5-16-6-11/h3-6,8H,7H2,1-2H3,(H2,17,18,19,20,21)