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

Systemtic Name: 5,6-dimethyl-2-[3-(3-methylphenoxy)propylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[3-(3-methylphenoxy)propylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[3-(3-methylphenoxy)propylthio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[3-(3-methylphenoxy)propylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[3-(3-methylphenoxy)propylthio]methyl]-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=C1)OCCCSCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CC1=CC(=CC=C1)OCCCSCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

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