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

Systemtic Name: 5,6-dimethyl-2-[(2-nitrophenyl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(2-nitrophenyl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(2-nitrophenyl)methylthio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(2-nitrophenyl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(2-nitrobenzyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C16H15N3O3S2/c1-9-10(2)24-16-14(9)15(20)17-13(18-16)8-23-7-11-5-3-4-6-12(11)19(21)22/h3-6H,7-8H2,1-2H3,(H,17,18,20)