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

Systemtic Name: 3-[(2R)-butan-2-yl]-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(1R)-1-methylpropyl]-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[(2R)-butan-2-yl]-2-[(1-propyl-5-tetrazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-[(2R)-butan-2-yl]-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[(1R)-1-methylpropyl]-2-[(1-propyltetrazol-5-yl)methylthio]quinazolin-4-one Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2C(C)CC

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2[C@H](C)CC

InChI

InChI=1S/C17H22N6OS/c1-4-10-22-15(19-20-21-22)11-25-17-18-14-9-7-6-8-13(14)16(24)23(17)12(3)5-2/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m1/s1