2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-6-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(1-butyltetrazol-5-yl)methylthio]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N6OS2 MolecularWeight: 438.56898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CC=C

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2CC=C

InChI

InChI=1S/C21H22N6OS2/c1-3-5-12-27-18(23-24-25-27)14-29-21-22-19-16(20(28)26(21)11-4-2)13-17(30-19)15-9-7-6-8-10-15/h4,6-10,13H,2-3,5,11-12,14H2,1H3