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

Systemtic Name: 7-[(2-chloranyl-5-methoxy-phenyl)methyl]-1,3-dimethyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione Openeye Name: 7-[(2-chloro-5-methoxy-phenyl)methyl]-1,3-dimethyl-8-(tetrahydrofuran-2-ylmethylamino)purine-2,6-dione CAS Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-(2-oxolanylmethylamino)purine-2,6-dione IUPAC Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-(oxolan-2-ylmethylamino)purine-2,6-dione Traditional Name: 7-(2-chloro-5-methoxy-benzyl)-1,3-dimethyl-8-(tetrahydrofurfurylamino)xanthine Formula: C20H24ClN5O4 MolecularWeight: 433.88866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4=C(C=CC(=C4)OC)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4=C(C=CC(=C4)OC)Cl

InChI

InChI=1S/C20H24ClN5O4/c1-24-17-16(18(27)25(2)20(24)28)26(11-12-9-13(29-3)6-7-15(12)21)19(23-17)22-10-14-5-4-8-30-14/h6-7,9,14H,4-5,8,10-11H2,1-3H3,(H,22,23)