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

Systemtic Name: N6-(1,3-benzothiazol-2-yl)-5-nitro-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzothiazol-2-yl)-N4-isopropyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzothiazol-2-yl)-5-nitro-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzothiazol-2-yl)-5-nitro-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6O2S/c1-8(2)17-12-11(20(21)22)13(16-7-15-12)19-14-18-9-5-3-4-6-10(9)23-14/h3-8H,1-2H3,(H2,15,16,17,18,19)