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

Systemtic Name: 2-methyl-5-nitro-6-(4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-1H-pyrimidin-4-one Openeye Name: 2-methyl-5-nitro-6-(4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-1H-pyrimidin-4-one CAS Name: 2-methyl-5-nitro-6-(4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-nitro-6-(4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)-1H-pyrimidin-4-one Traditional Name: 2-methyl-5-nitro-6-(4,5,7,8-tetrahydrothien[2,3-d]azepin-6-yl)-1H-pyrimidin-4-one Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N2CCC3=C(CC2)SC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N2CCC3=C(CC2)SC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-8-14-12(11(17(19)20)13(18)15-8)16-5-2-9-4-7-21-10(9)3-6-16/h4,7H,2-3,5-6H2,1H3,(H,14,15,18)