4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(2H-1,2,3,4-tetrazol-5-yl)benzamide Openeye Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-(2H-tetrazol-5-yl)benzamide CAS Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(2H-tetrazol-5-yl)benzamide IUPAC Name: 4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(2H-tetrazol-5-yl)benzamide Traditional Name: 4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-(2H-tetrazol-5-yl)benzamide Formula: C20H17N9O2 MolecularWeight: 415.40808

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)NC4=NNN=N4

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)NC4=NNN=N4

InChI

InChI=1S/C20H17N9O2/c1-2-9-29(11-12-3-8-16-15(10-12)18(31)23-19(21)22-16)14-6-4-13(5-7-14)17(30)24-20-25-27-28-26-20/h1,3-8,10H,9,11H2,(H3,21,22,23,31)(H2,24,25,26,27,28,30)