N-(2-methoxy-4-methyl-phenyl)-3-oxidanylidene-2-[6-(phenylcarbonyl)purin-9-yl]butanamide

Systemtic Name: N-(2-methoxy-4-methyl-phenyl)-3-oxidanylidene-2-[6-(phenylcarbonyl)purin-9-yl]butanamide Openeye Name: 2-(6-benzoylpurin-9-yl)-N-(2-methoxy-4-methyl-phenyl)-3-oxo-butanamide CAS Name: 2-(6-benzoyl-9-purinyl)-N-(2-methoxy-4-methylphenyl)-3-oxobutanamide IUPAC Name: 2-(6-benzoylpurin-9-yl)-N-(2-methoxy-4-methylphenyl)-3-oxobutanamide Traditional Name: 2-(6-benzoylpurin-9-yl)-3-keto-N-(2-methoxy-4-methyl-phenyl)butyramide Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N2C=NC3=C(N=CN=C32)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N2C=NC3=C(N=CN=C32)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H21N5O4/c1-14-9-10-17(18(11-14)33-3)28-24(32)21(15(2)30)29-13-27-20-19(25-12-26-23(20)29)22(31)16-7-5-4-6-8-16/h4-13,21H,1-3H3,(H,28,32)