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

Systemtic Name: 4,7,8-trimethyl-2-pentyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-2-pentyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-pentyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-pentyl-6-[(1R)-1-phenylethyl]purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-amyl-4,7,8-trimethyl-6-[(1R)-1-phenylethyl]purin[7,8-a]imidazole-1,3-quinone Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2/c1-6-7-11-14-26-21(29)19-20(25(5)23(26)30)24-22-27(15(2)16(3)28(19)22)17(4)18-12-9-8-10-13-18/h8-10,12-13,17H,6-7,11,14H2,1-5H3/t17-/m1/s1