9-butyl-1,3-diethyl-8-oxidanyl-7-phenyl-purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: 9-butyl-1,3-diethyl-8-oxidanyl-7-phenyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-butyl-1,3-diethyl-8-hydroxy-7-phenyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 9-butyl-1,3-diethyl-8-hydroxy-7-phenylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-butyl-1,3-diethyl-8-hydroxy-7-phenylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-butyl-1,3-diethyl-8-hydroxy-7-phenyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C22H25N5O4 MolecularWeight: 423.465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)N2C1=NC3=C2C(=O)N(C(=O)N3CC)CC)C4=CC=CC=C4)O

Isomeric SMILES

CCCCN1C(=C(C(=O)N2C1=NC3=C2C(=O)N(C(=O)N3CC)CC)C4=CC=CC=C4)O

InChI

InChI=1S/C22H25N5O4/c1-4-7-13-26-18(28)15(14-11-9-8-10-12-14)19(29)27-16-17(23-21(26)27)24(5-2)22(31)25(6-3)20(16)30/h8-12,28H,4-7,13H2,1-3H3