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

Systemtic Name: 3-methyl-1-(2-methylpropyl)-8-oxidanyl-7-pentyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-8-hydroxy-1-isobutyl-3-methyl-7-pentyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-3-methyl-1-(2-methylpropyl)-7-pentyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-8-hydroxy-3-methyl-1-(2-methylpropyl)-7-pentylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-amyl-9-benzyl-8-hydroxy-1-isobutyl-3-methyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C25H31N5O4 MolecularWeight: 465.54474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC(C)C)C)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC(C)C)C)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H31N5O4/c1-5-6-8-13-18-21(31)29(15-17-11-9-7-10-12-17)24-26-20-19(30(24)22(18)32)23(33)27(4)25(34)28(20)14-16(2)3/h7,9-12,16,31H,5-6,8,13-15H2,1-4H3