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

Systemtic Name: 5,6-dimethyl-2-(3-phenoxypropylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-(3-phenoxypropylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(3-phenoxypropylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-(3-phenoxypropylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[(3-phenoxypropylthio)methyl]-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)CSCCCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCCCOC3=CC=CC=C3)C

InChI

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