2-methyl-5-nitro-6-(4-oxidanyl-4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-5-nitro-6-(4-oxidanyl-4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-1H-pyrimidin-4-one Openeye Name: 6-(4-hydroxy-4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one CAS Name: 6-(4-hydroxy-4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-(4-hydroxy-4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(4-hydroxy-4,5,7,8-tetrahydrothien[2,3-d]azepin-6-yl)-2-methyl-5-nitro-1H-pyrimidin-4-one Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N2CCC3=C(C=CS3)C(C2)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N2CCC3=C(C=CS3)C(C2)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4S/c1-7-14-12(11(17(20)21)13(19)15-7)16-4-2-10-8(3-5-22-10)9(18)6-16/h3,5,9,18H,2,4,6H2,1H3,(H,14,15,19)