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

Systemtic Name: 3-[2-(4-aminophenyl)ethyl]-7-(2-diethylaminoethyl)-8-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-[2-(4-aminophenyl)ethyl]-8-benzyl-7-(2-diethylaminoethyl)-1-propyl-purine-2,6-dione CAS Name: 3-[2-(4-aminophenyl)ethyl]-7-(2-diethylaminoethyl)-8-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-[2-(4-aminophenyl)ethyl]-8-benzyl-7-(2-diethylaminoethyl)-1-propylpurine-2,6-dione Traditional Name: 3-[2-(4-aminophenyl)ethyl]-8-benzyl-7-(2-diethylaminoethyl)-1-propyl-xanthine Formula: C29H38N6O2 MolecularWeight: 502.65102

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CCN(CC)CC)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CCN(CC)CC)CC3=CC=CC=C3)N(C1=O)CCC4=CC=C(C=C4)N

InChI

InChI=1S/C29H38N6O2/c1-4-17-35-28(36)26-27(34(29(35)37)18-16-22-12-14-24(30)15-13-22)31-25(21-23-10-8-7-9-11-23)33(26)20-19-32(5-2)6-3/h7-15H,4-6,16-21,30H2,1-3H3