4,7,8-trimethyl-2-phenacyl-6-propyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7,8-trimethyl-2-phenacyl-6-propyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-2-phenacyl-6-propyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-phenacyl-6-propylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-phenacyl-6-propylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-2-phenacyl-6-propyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C21H23N5O3/c1-5-11-24-13(2)14(3)26-17-18(22-20(24)26)23(4)21(29)25(19(17)28)12-16(27)15-9-7-6-8-10-15/h6-10H,5,11-12H2,1-4H3