[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H17N7O3 MolecularWeight: 391.38338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C19H17N7O3/c1-12(18(27)25-17-15-16(21-10-20-15)22-11-23-17)29-19(28)14-5-3-13(4-6-14)9-26-8-2-7-24-26/h2-8,10-12H,9H2,1H3,(H2,20,21,22,23,25,27)