8-[(2-methoxyphenyl)methylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 8-[(2-methoxyphenyl)methylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-8-[(2-methoxyphenyl)methylamino]-3-methyl-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-8-[(2-methoxyphenyl)methylamino]-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-8-[(2-methoxyphenyl)methylamino]-3-methyl-7H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3-methyl-8-(o-anisylamino)-7H-purine-2,6-quinone Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=CC=C3OC)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=CC=C3OC)N(C1=O)C)O

InChI

InChI=1S/C20H27N5O4/c1-13(26)8-6-7-11-25-18(27)16-17(24(2)20(25)28)23-19(22-16)21-12-14-9-4-5-10-15(14)29-3/h4-5,9-10,13,26H,6-8,11-12H2,1-3H3,(H2,21,22,23)