7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-(3-phenylpropylamino)xanthine Formula: C23H23Cl2N5O2 MolecularWeight: 472.36702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCC3=CC=CC=C3)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCC3=CC=CC=C3)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H23Cl2N5O2/c1-28-20-19(21(31)29(2)23(28)32)30(14-16-10-11-17(24)18(25)13-16)22(27-20)26-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,26,27)