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

Systemtic Name: 1,3-dibutyl-8-oxidanyl-7-phenyl-9-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 1,3-dibutyl-8-hydroxy-7-phenyl-9-propyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-8-hydroxy-7-phenyl-9-propylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 1,3-dibutyl-8-hydroxy-7-phenyl-9-propylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 1,3-dibutyl-8-hydroxy-7-phenyl-9-propyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C25H31N5O4 MolecularWeight: 465.54474

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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)CCC)O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O4/c1-4-7-15-27-20-19(23(33)29(25(27)34)16-8-5-2)30-22(32)18(17-12-10-9-11-13-17)21(31)28(14-6-3)24(30)26-20/h9-13,31H,4-8,14-16H2,1-3H3