3-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-phenacylsulfanyl-3-(tetrahydrofuran-2-ylmethyl)benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(2-oxolanylmethyl)-2-(phenacylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-(phenacylthio)-3-(tetrahydrofurfuryl)benzothiopheno[3,2-d]pyrimidin-4-one Formula: C23H20N2O3S2 MolecularWeight: 436.5465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H20N2O3S2/c26-18(15-7-2-1-3-8-15)14-29-23-24-20-17-10-4-5-11-19(17)30-21(20)22(27)25(23)13-16-9-6-12-28-16/h1-5,7-8,10-11,16H,6,9,12-14H2