7-[2-[(3-chloranyl-2-methyl-phenyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[(3-chloranyl-2-methyl-phenyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(3-chloro-2-methyl-anilino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(3-chloro-2-methylanilino)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(3-chloro-2-methylanilino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(3-chloro-2-methyl-anilino)ethyl]-1,3-dimethyl-xanthine Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H18ClN5O2/c1-10-11(17)5-4-6-12(10)18-7-8-22-9-19-14-13(22)15(23)21(3)16(24)20(14)2/h4-6,9,18H,7-8H2,1-3H3