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

Systemtic Name: 4,7,8-trimethyl-6-[(1R)-1-phenylethyl]-2-propyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-6-[(1R)-1-phenylethyl]-2-propyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-6-[(1R)-1-phenylethyl]-2-propylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-6-[(1R)-1-phenylethyl]-2-propylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-6-[(1R)-1-phenylethyl]-2-propyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C3N2C(=C(N3C(C)C4=CC=CC=C4)C)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C3N2C(=C(N3[C@H](C)C4=CC=CC=C4)C)C)N(C1=O)C

InChI

InChI=1S/C21H25N5O2/c1-6-12-24-19(27)17-18(23(5)21(24)28)22-20-25(13(2)14(3)26(17)20)15(4)16-10-8-7-9-11-16/h7-11,15H,6,12H2,1-5H3/t15-/m1/s1