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

Systemtic Name: 9-(benzenecarbonothioyl)-1,3-dibutyl-8-oxidanyl-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-(benzenecarbonothioyl)-1,3-dibutyl-8-hydroxy-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 9-(benzenecarbonothioyl)-1,3-dibutyl-8-hydroxy-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-(benzenecarbonothioyl)-1,3-dibutyl-8-hydroxy-7-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-(benzenecarbonothioyl)-1,3-dibutyl-8-hydroxy-7-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C26H31N5O4S MolecularWeight: 509.62044

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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O4S/c1-4-7-15-28-20-19(23(34)29(26(28)35)16-8-5-2)30-21(32)18(12-6-3)22(33)31(25(30)27-20)24(36)17-13-10-9-11-14-17/h9-11,13-14,33H,4-8,12,15-16H2,1-3H3