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

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-8-(isopentylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-8-(isoamylamino)-1,3-dimethyl-xanthine Formula: C19H23Cl2N5O2 MolecularWeight: 424.32422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(N1CC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CCNC1=NC2=C(N1CC3=CC(=C(C=C3)Cl)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H23Cl2N5O2/c1-11(2)7-8-22-18-23-16-15(17(27)25(4)19(28)24(16)3)26(18)10-12-5-6-13(20)14(21)9-12/h5-6,9,11H,7-8,10H2,1-4H3,(H,22,23)