[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-methoxybenzoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-methoxybenzoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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-methoxybenzoate Traditional Name: 3-methoxybenzoic 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:

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

Isomeric SMILES

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

InChI

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