methyl 2-[3-(4-methylphenyl)-7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[3-(4-methylphenyl)-7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[7-oxo-3-(p-tolyl)triazolo[4,5-d]pyrimidin-6-yl]acetate CAS Name: 2-[3-(4-methylphenyl)-7-oxo-6-triazolo[4,5-d]pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate Traditional Name: 2-[7-keto-3-(p-tolyl)triazolo[4,5-d]pyrimidin-6-yl]acetic acid methyl ester Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)OC)N=N2

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)OC)N=N2

InChI

InChI=1S/C14H13N5O3/c1-9-3-5-10(6-4-9)19-13-12(16-17-19)14(21)18(8-15-13)7-11(20)22-2/h3-6,8H,7H2,1-2H3