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

Systemtic Name: 1,3-dibutyl-7-hexyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-1,3-dibutyl-7-hexyl-8-hydroxy-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-7-hexyl-8-hydroxy-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-1,3-dibutyl-7-hexyl-8-hydroxypurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-1,3-dibutyl-7-hexyl-8-hydroxy-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C29H39N5O4 MolecularWeight: 521.65106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCCC)CCCC)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCCC)CCCC)CC4=CC=CC=C4)O

InChI

InChI=1S/C29H39N5O4/c1-4-7-10-14-17-22-25(35)33(20-21-15-12-11-13-16-21)28-30-24-23(34(28)26(22)36)27(37)32(19-9-6-3)29(38)31(24)18-8-5-2/h11-13,15-16,35H,4-10,14,17-20H2,1-3H3