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

Systemtic Name: 7-[(2-chloranyl-5-methoxy-phenyl)methyl]-8-(furan-2-ylmethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-chloro-5-methoxy-phenyl)methyl]-8-(2-furylmethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(2-furanylmethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-chloro-5-methoxy-benzyl)-8-(2-furfurylamino)-1,3-dimethyl-xanthine Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4=C(C=CC(=C4)OC)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4=C(C=CC(=C4)OC)Cl

InChI

InChI=1S/C20H20ClN5O4/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/h4-9H,10-11H2,1-3H3,(H,22,23)