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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(4-nitrophenyl)-2-(o-tolylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(2-methylphenyl)methylthio]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(2-methylbenzyl)thio]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])SCC3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])SCC3

InChI

InChI=1S/C20H17N3O3S2/c1-13-4-2-3-5-14(13)12-28-20-21-17-10-11-27-18(17)19(24)22(20)15-6-8-16(9-7-15)23(25)26/h2-9H,10-12H2,1H3