3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(m-tolylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylphenyl)methylthio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(3-methylbenzyl)thio]-3-piperonyl-thieno[3,2-d]pyrimidin-4-one Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3

InChI

InChI=1S/C22H18N2O3S2/c1-14-3-2-4-16(9-14)12-29-22-23-17-7-8-28-20(17)21(25)24(22)11-15-5-6-18-19(10-15)27-13-26-18/h2-10H,11-13H2,1H3