benzoic acid; 2-methoxy-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one

Systemtic Name: benzoic acid; 2-methoxy-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one Openeye Name: benzoic acid; 2-methoxy-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one CAS Name: benzoic acid; 2-methoxy-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one IUPAC Name: benzoic acid; 2-methoxy-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one Traditional Name: benzoic acid; 2-methoxy-6-[(propargylamino)methyl]-1H-quinazolin-4-one Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=O)C2=C(N1)C=CC(=C2)CNCC#C.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC1=NC(=O)C2=C(N1)C=CC(=C2)CNCC#C.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H13N3O2.C7H6O2/c1-3-6-14-8-9-4-5-11-10(7-9)12(17)16-13(15-11)18-2;8-7(9)6-4-2-1-3-5-6/h1,4-5,7,14H,6,8H2,2H3,(H,15,16,17);1-5H,(H,8,9)