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

Systemtic Name: 1-methyl-8-oxidanyl-9-(phenylmethyl)-7-propyl-3-(pyridin-3-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-8-hydroxy-1-methyl-7-propyl-3-(3-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1-methyl-9-(phenylmethyl)-7-propyl-3-(3-pyridinylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-8-hydroxy-1-methyl-7-propyl-3-(pyridin-3-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-8-hydroxy-1-methyl-7-propyl-3-(3-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Formula: C25H24N6O4 MolecularWeight: 472.49586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)CC4=CN=CC=C4)CC5=CC=CC=C5)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)CC4=CN=CC=C4)CC5=CC=CC=C5)O

InChI

InChI=1S/C25H24N6O4/c1-3-8-18-21(32)29(14-16-9-5-4-6-10-16)24-27-20-19(31(24)22(18)33)23(34)30(25(35)28(20)2)15-17-11-7-12-26-13-17/h4-7,9-13,32H,3,8,14-15H2,1-2H3