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

Systemtic Name: 3-methyl-1-(5-oxidanylhexyl)-8-(thiophen-2-ylmethylamino)-7H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3-methyl-8-(2-thienylmethylamino)-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3-methyl-8-(thiophen-2-ylmethylamino)-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3-methyl-8-(thiophen-2-ylmethylamino)-7H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3-methyl-8-(2-thenylamino)-7H-purine-2,6-quinone Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=CS3)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=CS3)N(C1=O)C)O

InChI

InChI=1S/C17H23N5O3S/c1-11(23)6-3-4-8-22-15(24)13-14(21(2)17(22)25)20-16(19-13)18-10-12-7-5-9-26-12/h5,7,9,11,23H,3-4,6,8,10H2,1-2H3,(H2,18,19,20)