7-cyclohex-2-en-1-yl-1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione

Systemtic Name: 7-cyclohex-2-en-1-yl-1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione Openeye Name: 9-benzyl-7-cyclohex-2-en-1-yl-8-hydroxy-1,3-dimethyl-2H-purino[7,8-a]pyrimidine-4,6-dione CAS Name: 7-(1-cyclohex-2-enyl)-8-hydroxy-1,3-dimethyl-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione IUPAC Name: 9-benzyl-7-cyclohex-2-en-1-yl-8-hydroxy-1,3-dimethyl-2H-purino[7,8-a]pyrimidine-4,6-dione Traditional Name: 9-benzyl-7-cyclohex-2-en-1-yl-8-hydroxy-1,3-dimethyl-2H-purino[7,8-a]pyrimidine-4,6-quinone Formula: C23H25N5O3 MolecularWeight: 419.4763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(=O)C2=C1N=C3N2C(=O)C(=C(N3CC4=CC=CC=C4)O)C5CCCC=C5)C

Isomeric SMILES

CN1CN(C(=O)C2=C1N=C3N2C(=O)C(=C(N3CC4=CC=CC=C4)O)C5CCCC=C5)C

InChI

InChI=1S/C23H25N5O3/c1-25-14-26(2)22(31)18-19(25)24-23-27(13-15-9-5-3-6-10-15)20(29)17(21(30)28(18)23)16-11-7-4-8-12-16/h3,5-7,9-11,16,29H,4,8,12-14H2,1-2H3