4,7-dimethyl-2-pentyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7-dimethyl-2-pentyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-2-pentyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-pentyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-pentyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-amyl-4,7-dimethyl-6-[(1R)-1-phenylethyl]purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3C(C)C4=CC=CC=C4)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3[C@H](C)C4=CC=CC=C4)C)N(C1=O)C

InChI

InChI=1S/C22H27N5O2/c1-5-6-10-13-25-20(28)18-19(24(4)22(25)29)23-21-26(18)14-15(2)27(21)16(3)17-11-8-7-9-12-17/h7-9,11-12,14,16H,5-6,10,13H2,1-4H3/t16-/m1/s1