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

Systemtic Name: methyl 3-[2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(1-butyltetrazol-5-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(1-butyl-5-tetrazolyl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(1-butyltetrazol-5-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[(1-butyltetrazol-5-yl)methylthio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C18H22N6O3S/c1-3-4-10-24-15(20-21-22-24)12-28-18-19-14-8-6-5-7-13(14)17(26)23(18)11-9-16(25)27-2/h5-8H,3-4,9-12H2,1-2H3