(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C18H14N6O3 MolecularWeight: 362.34216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

InChI

InChI=1S/C18H14N6O3/c1-11-4-2-5-12-15(11)22-14(23-17(12)25)8-27-18(26)13-6-3-7-20-16(13)24-10-19-9-21-24/h2-7,9-10H,8H2,1H3,(H,22,23,25)