3-butyl-7-methyl-8-(4-phenylphenyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-methyl-8-(4-phenylphenyl)purine-2,6-dione Openeye Name: 3-butyl-7-methyl-8-(4-phenylphenyl)purine-2,6-dione CAS Name: 3-butyl-7-methyl-8-(4-phenylphenyl)purine-2,6-dione IUPAC Name: 3-butyl-7-methyl-8-(4-phenylphenyl)purine-2,6-dione Traditional Name: 3-butyl-7-methyl-8-(4-phenylphenyl)xanthine Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4O2/c1-3-4-14-26-20-18(21(27)24-22(26)28)25(2)19(23-20)17-12-10-16(11-13-17)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,24,27,28)