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

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1-butyltetrazol-5-yl)methylthio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H18N6OS2 MolecularWeight: 398.50512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C18H18N6OS2/c1-2-3-10-23-15(20-21-22-23)12-27-18-19-16-14(9-11-26-16)17(25)24(18)13-7-5-4-6-8-13/h4-9,11H,2-3,10,12H2,1H3