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

Systemtic Name: 1,3-dibutyl-7-methyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-methyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-8-hydroxy-7-methyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-methylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-methyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C24H29N5O4 MolecularWeight: 451.51816

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O4/c1-4-6-13-26-19-18(22(32)27(24(26)33)14-7-5-2)29-21(31)16(3)20(30)28(23(29)25-19)15-17-11-9-8-10-12-17/h8-12,30H,4-7,13-15H2,1-3H3