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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-8-(3-isopropoxypropylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-8-(3-isopropoxypropylamino)-3,7-dimethyl-xanthine Formula: C20H26ClN5O3 MolecularWeight: 419.90514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H26ClN5O3/c1-13(2)29-11-7-10-22-19-23-17-16(24(19)3)18(27)26(20(28)25(17)4)12-14-8-5-6-9-15(14)21/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,22,23)