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

Systemtic Name: 9-cyclohexyl-1,3-dimethyl-8-oxidanyl-7-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 7-benzyl-9-cyclohexyl-8-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 9-cyclohexyl-8-hydroxy-1,3-dimethyl-7-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 7-benzyl-9-cyclohexyl-8-hydroxy-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-benzyl-9-cyclohexyl-8-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C(=C(N(C3=N2)C4CCCCC4)O)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C(=C(N(C3=N2)C4CCCCC4)O)CC5=CC=CC=C5

InChI

InChI=1S/C23H25N5O4/c1-25-18-17(21(31)26(2)23(25)32)28-20(30)16(13-14-9-5-3-6-10-14)19(29)27(22(28)24-18)15-11-7-4-8-12-15/h3,5-6,9-10,15,29H,4,7-8,11-13H2,1-2H3