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

Systemtic Name: 2-butyl-4,7,8-trimethyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-butyl-4,7,8-trimethyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione CAS Name: 2-butyl-4,7,8-trimethyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-butyl-4,7,8-trimethyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-butyl-4,7,8-trimethyl-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:

CCCCN1C(=O)C2=C(N=C3N2C(=C(N3C(C)C4=CC=CC=C4)C)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2C(=C(N3[C@H](C)C4=CC=CC=C4)C)C)N(C1=O)C

InChI

InChI=1S/C22H27N5O2/c1-6-7-13-25-20(28)18-19(24(5)22(25)29)23-21-26(14(2)15(3)27(18)21)16(4)17-11-9-8-10-12-17/h8-12,16H,6-7,13H2,1-5H3/t16-/m1/s1