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

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-8-(3-isopropoxypropylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 1-(2,4-dichlorobenzyl)-8-(3-isopropoxypropylamino)-3,7-dimethyl-xanthine Formula: C20H25Cl2N5O3 MolecularWeight: 454.3502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H25Cl2N5O3/c1-12(2)30-9-5-8-23-19-24-17-16(25(19)3)18(28)27(20(29)26(17)4)11-13-6-7-14(21)10-15(13)22/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,23,24)