[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=NC=NC3=C2NC=N3)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=NC=NC3=C2NC=N3)O

InChI

InChI=1S/C16H15N5O4/c1-8-3-4-10(5-11(8)22)16(24)25-9(2)15(23)21-14-12-13(18-6-17-12)19-7-20-14/h3-7,9,22H,1-2H3,(H2,17,18,19,20,21,23)