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

Systemtic Name: 5,6-dimethyl-2-[(4-nitrophenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(4-nitrophenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(4-nitrophenyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(4-nitrophenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(4-nitrophenyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C15H13N3O3S2 MolecularWeight: 347.41202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C15H13N3O3S2/c1-8-9(2)23-15-13(8)14(19)16-12(17-15)7-22-11-5-3-10(4-6-11)18(20)21/h3-6H,7H2,1-2H3,(H,16,17,19)