7-[3-[[(4-methoxyphenyl)-phenyl-methyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[[(4-methoxyphenyl)-phenyl-methyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[[(4-methoxyphenyl)-phenyl-methyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[[(4-methoxyphenyl)-phenylmethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[[(4-methoxyphenyl)-phenylmethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[[(4-methoxyphenyl)-phenyl-methyl]amino]propyl]-1,3-dimethyl-xanthine Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC(C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC(C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H27N5O3/c1-27-22-21(23(30)28(2)24(27)31)29(16-26-22)15-7-14-25-20(17-8-5-4-6-9-17)18-10-12-19(32-3)13-11-18/h4-6,8-13,16,20,25H,7,14-15H2,1-3H3