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

Systemtic Name: 7-[(2-chloranyl-5-methoxy-phenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione Openeye Name: 7-[(2-chloro-5-methoxy-phenyl)methyl]-1,3-dimethyl-8-(2-pyridylmethylamino)purine-2,6-dione CAS Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-(2-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione Traditional Name: 7-(2-chloro-5-methoxy-benzyl)-1,3-dimethyl-8-(2-pyridylmethylamino)xanthine Formula: C21H21ClN6O3 MolecularWeight: 440.88284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=N3)CC4=C(C=CC(=C4)OC)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=N3)CC4=C(C=CC(=C4)OC)Cl

InChI

InChI=1S/C21H21ClN6O3/c1-26-18-17(19(29)27(2)21(26)30)28(12-13-10-15(31-3)7-8-16(13)22)20(25-18)24-11-14-6-4-5-9-23-14/h4-10H,11-12H2,1-3H3,(H,24,25)