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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-3,7-dimethyl-8-(3-methylbutylamino)purine-2,6-dione Openeye Name: 1-[(3-chlorophenyl)methyl]-8-(isopentylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3-chlorophenyl)methyl]-3,7-dimethyl-8-(3-methylbutylamino)purine-2,6-dione IUPAC Name: 1-[(3-chlorophenyl)methyl]-3,7-dimethyl-8-(3-methylbutylamino)purine-2,6-dione Traditional Name: 1-(3-chlorobenzyl)-8-(isoamylamino)-3,7-dimethyl-xanthine Formula: C19H24ClN5O2 MolecularWeight: 389.87916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN5O2/c1-12(2)8-9-21-18-22-16-15(23(18)3)17(26)25(19(27)24(16)4)11-13-6-5-7-14(20)10-13/h5-7,10,12H,8-9,11H2,1-4H3,(H,21,22)