6-bromanyl-3-[(1R)-1-phenylethyl]-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[(1R)-1-phenylethyl]-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 6-bromo-3-[(1R)-1-phenylethyl]-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-[(1R)-1-phenylethyl]-2-[(1-propyl-5-tetrazolyl)methylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-[(1R)-1-phenylethyl]-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-[(1R)-1-phenylethyl]-2-[(1-propyltetrazol-5-yl)methylthio]quinazolin-4-one Formula: C21H21BrN6OS MolecularWeight: 485.40004

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2C(C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C21H21BrN6OS/c1-3-11-27-19(24-25-26-27)13-30-21-23-18-10-9-16(22)12-17(18)20(29)28(21)14(2)15-7-5-4-6-8-15/h4-10,12,14H,3,11,13H2,1-2H3/t14-/m1/s1