(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate CAS Name: (2S)-3-phenyl-2-(1-tetrazolyl)propanoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2S)-3-phenyl-2-(tetrazol-1-yl)propionic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C(CC3=CC=CC=C3)N4C=NN=N4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)[C@H](CC3=CC=CC=C3)N4C=NN=N4

InChI

InChI=1S/C20H18N6O3/c1-13-6-5-9-15-18(13)22-17(23-19(15)27)11-29-20(28)16(26-12-21-24-25-26)10-14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3,(H,22,23,27)/t16-/m0/s1