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

Systemtic Name: 3-methyl-1-(5-oxidanylhexyl)-8-(prop-2-ynylamino)-7H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3-methyl-8-(prop-2-ynylamino)-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3-methyl-8-(prop-2-ynylamino)-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3-methyl-8-(prop-2-ynylamino)-7H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3-methyl-8-(propargylamino)-7H-purine-2,6-quinone Formula: C15H21N5O3 MolecularWeight: 319.35894

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC#C)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC#C)N(C1=O)C)O

InChI

InChI=1S/C15H21N5O3/c1-4-8-16-14-17-11-12(18-14)19(3)15(23)20(13(11)22)9-6-5-7-10(2)21/h1,10,21H,5-9H2,2-3H3,(H2,16,17,18)