8-(2-azanylethylamino)-7-[(2-chloranyl-5-methoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(2-azanylethylamino)-7-[(2-chloranyl-5-methoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-7-[(2-chloro-5-methoxy-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-7-(2-chloro-5-methoxy-benzyl)-1,3-dimethyl-xanthine Formula: C17H21ClN6O3 MolecularWeight: 392.84004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=C(C=CC(=C3)OC)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=C(C=CC(=C3)OC)Cl

InChI

InChI=1S/C17H21ClN6O3/c1-22-14-13(15(25)23(2)17(22)26)24(16(21-14)20-7-6-19)9-10-8-11(27-3)4-5-12(10)18/h4-5,8H,6-7,9,19H2,1-3H3,(H,20,21)