[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxylic acid [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)pyrazole-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H16ClN7O3 MolecularWeight: 425.82844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C19H16ClN7O3/c1-11(18(28)26-17-15-16(22-9-21-15)23-10-24-17)30-19(29)13-6-25-27(8-13)7-12-4-2-3-5-14(12)20/h2-6,8-11H,7H2,1H3,(H2,21,22,23,24,26,28)/t11-/m0/s1