N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: (6-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-(propylamino)pyrimidin-4-yl]amine Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C15H16N6O2S/c1-3-6-16-13-12(21(22)23)14(18-8-17-13)20-15-19-10-5-4-9(2)7-11(10)24-15/h4-5,7-8H,3,6H2,1-2H3,(H2,16,17,18,19,20)