1-[6-[(4-methoxyphenyl)methylamino]-5-oxidanyl-hexyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[6-[(4-methoxyphenyl)methylamino]-5-oxidanyl-hexyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[5-hydroxy-6-[(4-methoxyphenyl)methylamino]hexyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[5-hydroxy-6-[(4-methoxyphenyl)methylamino]hexyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[5-hydroxy-6-[(4-methoxyphenyl)methylamino]hexyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[5-hydroxy-6-(p-anisylamino)hexyl]-3,7-dimethyl-xanthine Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CNCC3=CC=C(C=C3)OC)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CNCC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C21H29N5O4/c1-24-14-23-19-18(24)20(28)26(21(29)25(19)2)11-5-4-6-16(27)13-22-12-15-7-9-17(30-3)10-8-15/h7-10,14,16,22,27H,4-6,11-13H2,1-3H3