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

Systemtic Name: 1,3-dibutyl-8-oxidanyl-7-propyl-9-(thiophen-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 1,3-dibutyl-8-hydroxy-7-propyl-9-(2-thienylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-8-hydroxy-7-propyl-9-(thiophen-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 1,3-dibutyl-8-hydroxy-7-propyl-9-(thiophen-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 1,3-dibutyl-8-hydroxy-7-propyl-9-(2-thenyl)purino[7,8-a]pyrimidine-2,4,6-trione Formula: C24H31N5O4S MolecularWeight: 485.59904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CS4)O)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CS4)O)CCC

InChI

InChI=1S/C24H31N5O4S/c1-4-7-12-26-19-18(22(32)27(24(26)33)13-8-5-2)29-21(31)17(10-6-3)20(30)28(23(29)25-19)15-16-11-9-14-34-16/h9,11,14,30H,4-8,10,12-13,15H2,1-3H3