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

Systemtic Name: 7-ethyl-8-oxidanyl-9-(phenylmethyl)-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-7-ethyl-8-hydroxy-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 7-ethyl-8-hydroxy-9-(phenylmethyl)-1,3-dipropylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-7-ethyl-8-hydroxy-1,3-dipropylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-7-ethyl-8-hydroxy-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C23H27N5O4 MolecularWeight: 437.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)CC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N3C(=O)C(=C(N(C3=N2)CC4=CC=CC=C4)O)CC

InChI

InChI=1S/C23H27N5O4/c1-4-12-25-18-17(21(31)26(13-5-2)23(25)32)28-20(30)16(6-3)19(29)27(22(28)24-18)14-15-10-8-7-9-11-15/h7-11,29H,4-6,12-14H2,1-3H3