6-methyl-3-(4-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

Systemtic Name: 6-methyl-3-(4-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 6-methyl-3-(4-methylphenyl)-2-[(3-nitrophenyl)methylthio]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 6-methyl-3-(4-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 6-methyl-2-[(3-nitrobenzyl)thio]-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(S1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C

Isomeric SMILES

CC1CC2=C(S1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C

InChI

InChI=1S/C21H19N3O3S2/c1-13-6-8-16(9-7-13)23-20(25)19-18(10-14(2)29-19)22-21(23)28-12-15-4-3-5-17(11-15)24(26)27/h3-9,11,14H,10,12H2,1-2H3