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

Systemtic Name: 1,3-dibutyl-7-methyl-8-oxidanyl-9-(thiophen-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 1,3-dibutyl-8-hydroxy-7-methyl-9-(2-thienylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-8-hydroxy-7-methyl-9-(thiophen-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 1,3-dibutyl-8-hydroxy-7-methyl-9-(thiophen-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 1,3-dibutyl-8-hydroxy-7-methyl-9-(2-thenyl)purino[7,8-a]pyrimidine-2,4,6-trione Formula: C22H27N5O4S MolecularWeight: 457.54588

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4S/c1-4-6-10-24-17-16(20(30)25(22(24)31)11-7-5-2)27-19(29)14(3)18(28)26(21(27)23-17)13-15-9-8-12-32-15/h8-9,12,28H,4-7,10-11,13H2,1-3H3