7-chloranyl-3-(3-methylbutyl)-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methylbutyl)-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-isopentyl-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-methylbutyl)-2-[(1-propyl-5-tetrazolyl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylbutyl)-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-isoamyl-2-[(1-propyltetrazol-5-yl)methylthio]quinazolin-4-one Formula: C18H23ClN6OS MolecularWeight: 406.93282

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

InChI

InChI=1S/C18H23ClN6OS/c1-4-8-25-16(21-22-23-25)11-27-18-20-15-10-13(19)5-6-14(15)17(26)24(18)9-7-12(2)3/h5-6,10,12H,4,7-9,11H2,1-3H3