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

Systemtic Name: 8-[(2-aminophenyl)methylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 8-[(2-aminophenyl)methylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-[(2-aminophenyl)methylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[(2-aminophenyl)methylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[(2-aminobenzyl)amino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=CC=C3N)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=CC=C3N)N(C1=O)C)O

InChI

InChI=1S/C19H26N6O3/c1-12(26)7-5-6-10-25-17(27)15-16(24(2)19(25)28)23-18(22-15)21-11-13-8-3-4-9-14(13)20/h3-4,8-9,12,26H,5-7,10-11,20H2,1-2H3,(H2,21,22,23)