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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H23Cl2N5O2/c1-4-5-6-9-22-18-23-16-15(24(18)2)17(27)26(19(28)25(16)3)11-12-7-8-13(20)14(21)10-12/h7-8,10H,4-6,9,11H2,1-3H3,(H,22,23)