7-(3-chloranylbut-2-enyl)-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione

Systemtic Name: 7-(3-chloranylbut-2-enyl)-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Openeye Name: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione IUPAC Name: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione Traditional Name: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-[(4-methylbenzyl)amino]xanthine Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC=C(C)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC=C(C)Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H22ClN5O2/c1-12-5-7-14(8-6-12)11-21-18-22-16-15(25(18)10-9-13(2)20)17(26)24(4)19(27)23(16)3/h5-9H,10-11H2,1-4H3,(H,21,22)