9-(benzenecarbonothioyl)-1,3-dibutyl-7-methyl-8-oxidanyl-purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: 9-(benzenecarbonothioyl)-1,3-dibutyl-7-methyl-8-oxidanyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-(benzenecarbonothioyl)-1,3-dibutyl-8-hydroxy-7-methyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 9-(benzenecarbonothioyl)-1,3-dibutyl-8-hydroxy-7-methylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-(benzenecarbonothioyl)-1,3-dibutyl-8-hydroxy-7-methylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-(benzenecarbonothioyl)-1,3-dibutyl-8-hydroxy-7-methyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C24H27N5O4S MolecularWeight: 481.56728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3C(=O)C(=C(N(C3=N2)C(=S)C4=CC=CC=C4)O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3C(=O)C(=C(N(C3=N2)C(=S)C4=CC=CC=C4)O)C

InChI

InChI=1S/C24H27N5O4S/c1-4-6-13-26-18-17(21(32)27(24(26)33)14-7-5-2)28-19(30)15(3)20(31)29(23(28)25-18)22(34)16-11-9-8-10-12-16/h8-12,31H,4-7,13-14H2,1-3H3