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

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-[(4-nitrophenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[(4-nitrophenyl)sulfanylmethyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-[[(4-nitrophenyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-[(4-nitrophenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-2-[[(4-nitrophenyl)thio]methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H17N3O3S2/c1-12-3-5-14(6-4-12)18-13(2)29-21-19(18)20(25)22-17(23-21)11-28-16-9-7-15(8-10-16)24(26)27/h3-10H,11H2,1-2H3,(H,22,23,25)