methyl 4-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]benzoate

Systemtic Name: methyl 4-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]benzoate Openeye Name: methyl 4-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]benzoate CAS Name: 4-[9-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-6-purinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[9-[5-(cyclopropylcarbamoyl)-2-methylphenyl]purin-6-yl]benzoate Traditional Name: 4-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]benzoic acid methyl ester Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C24H21N5O3/c1-14-3-4-17(23(30)28-18-9-10-18)11-19(14)29-13-27-21-20(25-12-26-22(21)29)15-5-7-16(8-6-15)24(31)32-2/h3-8,11-13,18H,9-10H2,1-2H3,(H,28,30)