3-methyl-1-(5-oxidanylhexyl)-8-(2-phenylazanylethylamino)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-1-(5-oxidanylhexyl)-8-(2-phenylazanylethylamino)-7H-purine-2,6-dione Openeye Name: 8-(2-anilinoethylamino)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-(2-anilinoethylamino)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-(2-anilinoethylamino)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(2-anilinoethylamino)-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCNC3=CC=CC=C3)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCNC3=CC=CC=C3)N(C1=O)C)O

InChI

InChI=1S/C20H28N6O3/c1-14(27)8-6-7-13-26-18(28)16-17(25(2)20(26)29)24-19(23-16)22-12-11-21-15-9-4-3-5-10-15/h3-5,9-10,14,21,27H,6-8,11-13H2,1-2H3,(H2,22,23,24)