N2-(1,3-benzothiazol-2-ylmethyl)-N4-cyclopropyl-N2-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(1,3-benzothiazol-2-ylmethyl)-N4-cyclopropyl-N2-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(1,3-benzothiazol-2-ylmethyl)-N4-cyclopropyl-N2-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(1,3-benzothiazol-2-ylmethyl)-N4-cyclopropyl-N2-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(1,3-benzothiazol-2-ylmethyl)-4-N-cyclopropyl-2-N-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: 1,3-benzothiazol-2-ylmethyl-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-methyl-amine Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O2S/c1-21(9-14-19-11-4-2-3-5-13(11)25-14)16-17-8-12(22(23)24)15(20-16)18-10-6-7-10/h2-5,8,10H,6-7,9H2,1H3,(H,17,18,20)