2-[(3,4-dimethoxyphenyl)methyl]-9-(5-phenylpentan-2-yl)-3,7-dihydropurine-6,8-dione

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-(5-phenylpentan-2-yl)-3,7-dihydropurine-6,8-dione Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-(1-methyl-4-phenyl-butyl)-3,7-dihydropurine-6,8-dione CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-(5-phenylpentan-2-yl)-3,7-dihydropurine-6,8-dione IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-(5-phenylpentan-2-yl)-3,7-dihydropurine-6,8-dione Traditional Name: 9-(1-methyl-4-phenyl-butyl)-2-veratryl-3,7-dihydropurine-6,8-quinone Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)N2C3=C(C(=O)N=C(N3)CC4=CC(=C(C=C4)OC)OC)NC2=O

Isomeric SMILES

CC(CCCC1=CC=CC=C1)N2C3=C(C(=O)N=C(N3)CC4=CC(=C(C=C4)OC)OC)NC2=O

InChI

InChI=1S/C25H28N4O4/c1-16(8-7-11-17-9-5-4-6-10-17)29-23-22(28-25(29)31)24(30)27-21(26-23)15-18-12-13-19(32-2)20(14-18)33-3/h4-6,9-10,12-14,16H,7-8,11,15H2,1-3H3,(H,28,31)(H,26,27,30)