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

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethoxy)-5-nitro-1H-pyrimidin-6-one Openeye Name: 4-(1,3-benzothiazol-2-ylmethoxy)-5-nitro-1H-pyrimidin-6-one CAS Name: 4-(1,3-benzothiazol-2-ylmethoxy)-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-(1,3-benzothiazol-2-ylmethoxy)-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-(1,3-benzothiazol-2-ylmethoxy)-5-nitro-1H-pyrimidin-6-one Formula: C12H8N4O4S MolecularWeight: 304.28132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC3=C(C(=O)NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC3=C(C(=O)NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O4S/c17-11-10(16(18)19)12(14-6-13-11)20-5-9-15-7-3-1-2-4-8(7)21-9/h1-4,6H,5H2,(H,13,14,17)