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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid (1-butyltetrazol-5-yl)methyl ester Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H20N6O3/c1-2-3-10-23-15(20-21-22-23)11-26-16(24)9-8-14-18-13-7-5-4-6-12(13)17(25)19-14/h4-7H,2-3,8-11H2,1H3,(H,18,19,25)