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

Systemtic Name: 3-azanyl-2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[(1-butyl-5-tetrazolyl)methylthio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[(1-butyltetrazol-5-yl)methylthio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H19N7OS2 MolecularWeight: 413.51976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

InChI

InChI=1S/C18H19N7OS2/c1-2-3-9-24-14(21-22-23-24)11-28-18-20-16-15(17(26)25(18)19)13(10-27-16)12-7-5-4-6-8-12/h4-8,10H,2-3,9,11,19H2,1H3