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

Systemtic Name: 1,3-dibutyl-9-[(4-methoxyphenyl)methyl]-7-methyl-8-oxidanyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 1,3-dibutyl-8-hydroxy-9-[(4-methoxyphenyl)methyl]-7-methyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-8-hydroxy-9-[(4-methoxyphenyl)methyl]-7-methylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 1,3-dibutyl-8-hydroxy-9-[(4-methoxyphenyl)methyl]-7-methylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 1,3-dibutyl-8-hydroxy-7-methyl-9-p-anisyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C25H31N5O5 MolecularWeight: 481.54414

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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=C(C=C4)OC)O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3C(=O)C(=C(N(C3=N2)CC4=CC=C(C=C4)OC)O)C

InChI

InChI=1S/C25H31N5O5/c1-5-7-13-27-20-19(23(33)28(25(27)34)14-8-6-2)30-22(32)16(3)21(31)29(24(30)26-20)15-17-9-11-18(35-4)12-10-17/h9-12,31H,5-8,13-15H2,1-4H3