2-[(3-methylphenyl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-(m-tolylmethylsulfanyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-methylphenyl)methylthio]-3-prop-2-enyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(3-methylbenzyl)thio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H18N2OS3 MolecularWeight: 410.57542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC=C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CC=C

InChI

InChI=1S/C21H18N2OS3/c1-3-9-23-20(24)18-16(17-8-5-10-25-17)13-26-19(18)22-21(23)27-12-15-7-4-6-14(2)11-15/h3-8,10-11,13H,1,9,12H2,2H3