6-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]hexanamide

Systemtic Name: 6-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]hexanamide Openeye Name: 6-[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]hexanamide CAS Name: 6-[2-[(1-cyclopropyl-5-tetrazolyl)methylthio]-4-oxo-3-quinazolinyl]hexanamide IUPAC Name: 6-[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]hexanamide Traditional Name: 6-[2-[(1-cyclopropyltetrazol-5-yl)methylthio]-4-keto-quinazolin-3-yl]hexanamide Formula: C19H23N7O2S MolecularWeight: 413.49662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)CSC3=NC4=CC=CC=C4C(=O)N3CCCCCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=N2)CSC3=NC4=CC=CC=C4C(=O)N3CCCCCC(=O)N

InChI

InChI=1S/C19H23N7O2S/c20-16(27)8-2-1-5-11-25-18(28)14-6-3-4-7-15(14)21-19(25)29-12-17-22-23-24-26(17)13-9-10-13/h3-4,6-7,13H,1-2,5,8-12H2,(H2,20,27)