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

Systemtic Name: N4-butan-2-yl-N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(C=CC=C3S2)C

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(C=CC=C3S2)C

InChI

InChI=1S/C16H18N6O2S/c1-4-10(3)19-14-13(22(23)24)15(18-8-17-14)21-16-20-12-9(2)6-5-7-11(12)25-16/h5-8,10H,4H2,1-3H3,(H2,17,18,19,20,21)