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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)CCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)Cl

InChI

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