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

Systemtic Name: 1,3-dibutyl-7-ethyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-1,3-dibutyl-7-ethyl-8-hydroxy-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-7-ethyl-8-hydroxy-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-1,3-dibutyl-7-ethyl-8-hydroxypurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-1,3-dibutyl-7-ethyl-8-hydroxy-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)CC4=CC=CC=C4)O)CC

Isomeric SMILES

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

InChI

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