ethyl 1-methyl-5-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrazole-4-carboxylate hydrate

Systemtic Name: ethyl 1-methyl-5-(2-methyl-4-oxidanylidene-quinazolin-3-yl)pyrazole-4-carboxylate hydrate Openeye Name: ethyl 1-methyl-5-(2-methyl-4-oxo-quinazolin-3-yl)pyrazole-4-carboxylate hydrate CAS Name: 1-methyl-5-(2-methyl-4-oxo-3-quinazolinyl)-4-pyrazolecarboxylic acid ethyl ester hydrate IUPAC Name: ethyl 1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazole-4-carboxylate hydrate Traditional Name: 5-(4-keto-2-methyl-quinazolin-3-yl)-1-methyl-pyrazole-4-carboxylic acid ethyl ester hydrate Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)N2C(=NC3=CC=CC=C3C2=O)C.O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)N2C(=NC3=CC=CC=C3C2=O)C.O

InChI

InChI=1S/C16H16N4O3.H2O/c1-4-23-16(22)12-9-17-19(3)14(12)20-10(2)18-13-8-6-5-7-11(13)15(20)21;/h5-9H,4H2,1-3H3;1H2