8-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(4-veratroylpiperazino)xanthine Formula: C27H30N6O5 MolecularWeight: 518.5643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N6O5/c1-29-23-22(25(35)30(2)27(29)36)33(17-18-8-6-5-7-9-18)26(28-23)32-14-12-31(13-15-32)24(34)19-10-11-20(37-3)21(16-19)38-4/h5-11,16H,12-15,17H2,1-4H3