4-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-pyrimidin-2-amine

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-pyrimidin-2-amine Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-pyrimidin-2-amine CAS Name: 4-(1,3-benzothiazol-2-ylthio)-5-nitro-2-pyrimidinamine IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-5-nitropyrimidin-2-amine Traditional Name: [4-(1,3-benzothiazol-2-ylthio)-5-nitro-pyrimidin-2-yl]amine Formula: C11H7N5O2S2 MolecularWeight: 305.33558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=NC(=NC=C3[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=NC(=NC=C3[N+](=O)[O-])N

InChI

InChI=1S/C11H7N5O2S2/c12-10-13-5-7(16(17)18)9(15-10)20-11-14-6-3-1-2-4-8(6)19-11/h1-5H,(H2,12,13,15)