7-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-1-(2-methoxyethyl)-3-naphthalen-1-yl-purine-2,6-dione

Systemtic Name: 7-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-1-(2-methoxyethyl)-3-naphthalen-1-yl-purine-2,6-dione Openeye Name: 7-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]-1-(2-methoxyethyl)-3-(1-naphthyl)purine-2,6-dione CAS Name: 7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-1-(2-methoxyethyl)-3-(1-naphthalenyl)purine-2,6-dione IUPAC Name: 7-[2-(2,4-dimethylphenyl)-2-oxoethyl]-1-(2-methoxyethyl)-3-naphthalen-1-ylpurine-2,6-dione Traditional Name: 7-[2-(2,4-dimethylphenyl)-2-keto-ethyl]-1-(2-methoxyethyl)-3-(1-naphthyl)xanthine Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC5=CC=CC=C54)CCOC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC5=CC=CC=C54)CCOC)C

InChI

InChI=1S/C28H26N4O4/c1-18-11-12-21(19(2)15-18)24(33)16-30-17-29-26-25(30)27(34)31(13-14-36-3)28(35)32(26)23-10-6-8-20-7-4-5-9-22(20)23/h4-12,15,17H,13-14,16H2,1-3H3