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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(m-tolylmethylsulfanyl)-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-methylphenyl)methylthio]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3-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=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])SCC3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])SCC3

InChI

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