5,6-dimethyl-2-[(3-nitropyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(3-nitropyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(3-nitro-2-pyridyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(3-nitro-2-pyridinyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(3-nitropyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(3-nitro-2-pyridyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C14H12N4O3S2 MolecularWeight: 348.40008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(C=CC=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(C=CC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C14H12N4O3S2/c1-7-8(2)23-14-11(7)12(19)16-10(17-14)6-22-13-9(18(20)21)4-3-5-15-13/h3-5H,6H2,1-2H3,(H,16,17,19)