4,7,8-trimethyl-2-(2-oxidanylidenepropyl)-6-phenethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7,8-trimethyl-2-(2-oxidanylidenepropyl)-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-4,7,8-trimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-(2-oxopropyl)-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-(2-oxopropyl)-6-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-4,7,8-trimethyl-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CC(=O)C)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CC(=O)C)C)C

InChI

InChI=1S/C21H23N5O3/c1-13(27)12-25-19(28)17-18(23(4)21(25)29)22-20-24(14(2)15(3)26(17)20)11-10-16-8-6-5-7-9-16/h5-9H,10-12H2,1-4H3