3-[2-(4-aminophenyl)ethyl]-7-(dimethylaminomethyl)-8-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-7-(dimethylaminomethyl)-8-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-8-benzyl-7-(dimethylaminomethyl)-1-propyl-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-7-(dimethylaminomethyl)-8-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-8-benzyl-7-(dimethylaminomethyl)-1-propylpurine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-8-benzyl-7-(dimethylaminomethyl)-1-propyl-xanthine Formula: C26H32N6O2 MolecularWeight: 460.57128

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CN(C)C)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CN(C)C)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)N

InChI

InChI=1S/C26H32N6O2/c1-4-15-31-25(33)23-24(30(26(31)34)16-14-19-10-12-21(27)13-11-19)28-22(32(23)18-29(2)3)17-20-8-6-5-7-9-20/h5-13H,4,14-18,27H2,1-3H3