8-[(2-chloroethylamino)-(4-methylphenyl)methylidene]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(2-chloroethylamino)-(4-methylphenyl)methylidene]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(2-chloroethylamino)-(p-tolyl)methylene]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2-chloroethylamino)-(4-methylphenyl)methylidene]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(2-chloroethylamino)-(4-methylphenyl)methylidene]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(2-chloroethylamino)-(p-tolyl)methylene]-1,3-dimethyl-xanthine Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2N=C3C(=N2)N(C(=O)N(C3=O)C)C)NCCCl

Isomeric SMILES

CC1=CC=C(C=C1)C(=C2N=C3C(=N2)N(C(=O)N(C3=O)C)C)NCCCl

InChI

InChI=1S/C17H18ClN5O2/c1-10-4-6-11(7-5-10)12(19-9-8-18)14-20-13-15(21-14)22(2)17(25)23(3)16(13)24/h4-7,19H,8-9H2,1-3H3