6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-1H-pyrimidin-4-one CAS Name: 6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-1H-pyrimidin-4-one Formula: C12H9N5O3S MolecularWeight: 303.29656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=O)N=CN3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=O)N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O3S/c1-6-3-2-4-7-8(6)15-12(21-7)16-10-9(17(19)20)11(18)14-5-13-10/h2-5H,1H3,(H2,13,14,15,16,18)