methyl 4-[1-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)-3-oxidanyl-propan-2-yl]benzoate

Systemtic Name: methyl 4-[1-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)-3-oxidanyl-propan-2-yl]benzoate Openeye Name: methyl 4-[1-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl]-2-hydroxy-ethyl]benzoate CAS Name: 4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)-3-hydroxypropan-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)-3-hydroxypropan-2-yl]benzoate Traditional Name: 4-[1-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl]-2-hydroxy-ethyl]benzoic acid methyl ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(CC2=CC3=C(C=C2)NC(=NC3=O)N)CO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(CC2=CC3=C(C=C2)NC(=NC3=O)N)CO

InChI

InChI=1S/C19H19N3O4/c1-26-18(25)13-5-3-12(4-6-13)14(10-23)8-11-2-7-16-15(9-11)17(24)22-19(20)21-16/h2-7,9,14,23H,8,10H2,1H3,(H3,20,21,22,24)