7-[2-[[(4-chlorophenyl)-pyridin-4-yl-methyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[[(4-chlorophenyl)-pyridin-4-yl-methyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[[(4-chlorophenyl)-(4-pyridyl)methyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[[(4-chlorophenyl)-(4-pyridyl)methyl]amino]ethyl]-1,3-dimethyl-xanthine Formula: C21H21ClN6O2 MolecularWeight: 424.88344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(C3=CC=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(C3=CC=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C21H21ClN6O2/c1-26-19-18(20(29)27(2)21(26)30)28(13-25-19)12-11-24-17(15-7-9-23-10-8-15)14-3-5-16(22)6-4-14/h3-10,13,17,24H,11-12H2,1-2H3