(4-pyrazol-1-ylphenyl)methyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C19H18N6O4/c1-22-17-16(18(27)23(2)19(22)28)24(12-20-17)10-15(26)29-11-13-4-6-14(7-5-13)25-9-3-8-21-25/h3-9,12H,10-11H2,1-2H3