6-(1,3-benzothiazol-2-ylamino)-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzothiazol-2-ylamino)-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylamino)-5-nitro-1H-pyrimidin-4-one CAS Name: 6-(1,3-benzothiazol-2-ylamino)-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylamino)-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(1,3-benzothiazol-2-ylamino)-5-nitro-1H-pyrimidin-4-one Formula: C11H7N5O3S MolecularWeight: 289.26998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=O)N=CN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=O)N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C11H7N5O3S/c17-10-8(16(18)19)9(12-5-13-10)15-11-14-6-3-1-2-4-7(6)20-11/h1-5H,(H2,12,13,14,15,17)