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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-8-(isobutylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 1-(3,4-dichlorobenzyl)-8-(isobutylamino)-3,7-dimethyl-xanthine Formula: C18H21Cl2N5O2 MolecularWeight: 410.29764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N5O2/c1-10(2)8-21-17-22-15-14(23(17)3)16(26)25(18(27)24(15)4)9-11-5-6-12(19)13(20)7-11/h5-7,10H,8-9H2,1-4H3,(H,21,22)