ethyl 3-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)-5,7-dimethyl-4-oxidanylidene-quinazoline-6-carboxylate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)-5,7-dimethyl-4-oxidanylidene-quinazoline-6-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)-5,7-dimethyl-4-oxo-quinazoline-6-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)-5,7-dimethyl-4-oxo-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)-5,7-dimethyl-4-oxoquinazoline-6-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-keto-5,7-dimethyl-2-methylol-quinazoline-6-carboxylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC4=C(C=C3)OCO4)CO)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC4=C(C=C3)OCO4)CO)C

InChI

InChI=1S/C21H20N2O6/c1-4-27-21(26)18-11(2)7-14-19(12(18)3)20(25)23(17(9-24)22-14)13-5-6-15-16(8-13)29-10-28-15/h5-8,24H,4,9-10H2,1-3H3