3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-8-nitro-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-2-(methylthio)-8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-(methylthio)-8-nitro-3-p-anisyl-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C19H15N3O4S2 MolecularWeight: 413.4701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])N=C2SC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])N=C2SC

InChI

InChI=1S/C19H15N3O4S2/c1-26-13-6-3-11(4-7-13)10-21-18(23)17-16(20-19(21)27-2)14-9-12(22(24)25)5-8-15(14)28-17/h3-9H,10H2,1-2H3