methyl 2-[2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(1-butyltetrazol-5-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[(1-butyl-5-tetrazolyl)methylthio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(1-butyltetrazol-5-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[(1-butyltetrazol-5-yl)methylthio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C17H20N6O3S/c1-3-4-9-23-14(19-20-21-23)11-27-17-18-13-8-6-5-7-12(13)16(25)22(17)10-15(24)26-2/h5-8H,3-4,9-11H2,1-2H3