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

Systemtic Name: 1,3-dibutyl-7-octyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-octyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-dibutyl-8-hydroxy-7-octyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-octylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-1,3-dibutyl-8-hydroxy-7-octyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C31H43N5O4 MolecularWeight: 549.70422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCCC)CCCC)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCCC)CCCC)CC4=CC=CC=C4)O

InChI

InChI=1S/C31H43N5O4/c1-4-7-10-11-12-16-19-24-27(37)35(22-23-17-14-13-15-18-23)30-32-26-25(36(30)28(24)38)29(39)34(21-9-6-3)31(40)33(26)20-8-5-2/h13-15,17-18,37H,4-12,16,19-22H2,1-3H3