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

Systemtic Name: 5,6-dimethyl-2-[4-(2-methylphenoxy)butylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[4-(2-methylphenoxy)butylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[4-(2-methylphenoxy)butylthio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[4-(2-methylphenoxy)butylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[4-(2-methylphenoxy)butylthio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCCSC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CC1=CC=CC=C1OCCCCSC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C19H22N2O2S2/c1-12-8-4-5-9-15(12)23-10-6-7-11-24-19-20-17(22)16-13(2)14(3)25-18(16)21-19/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,20,21,22)