3-prop-2-enyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-prop-2-enyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-3-prop-2-enyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C25H23N3O2S3 MolecularWeight: 493.66402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4)SC=C2C5=CC=CS5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4)SC=C2C5=CC=CS5

InChI

InChI=1S/C25H23N3O2S3/c1-2-11-28-24(30)21-19(20-6-5-14-31-20)16-32-22(21)26-25(28)33-15-17-7-9-18(10-8-17)23(29)27-12-3-4-13-27/h2,5-10,14,16H,1,3-4,11-13,15H2