5,6-dimethyl-2-(4-phenoxybutylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-(4-phenoxybutylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-(4-phenoxybutylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-(4-phenoxybutylthio)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-(4-phenoxybutylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-(4-phenoxybutylthio)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCCCCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCCCCOC3=CC=CC=C3)C

InChI

InChI=1S/C18H20N2O2S2/c1-12-13(2)24-17-15(12)16(21)19-18(20-17)23-11-7-6-10-22-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,20,21)