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

Systemtic Name: N4-butyl-N4-methyl-N6-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N4-methyl-N6-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N4-methyl-N6-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-4-N-methyl-6-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-methyl-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O2S/c1-4-5-8-22(3)16-14(23(24)25)15(18-10-19-16)21-17-20-12-7-6-11(2)9-13(12)26-17/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,20,21)