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

Systemtic Name: 4,7,8-trimethyl-2-(3-phenylpropyl)-6H-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7,8-trimethyl-2-(3-phenylpropyl)-6H-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-(3-phenylpropyl)-6H-purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-(3-phenylpropyl)-6H-purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7,8-trimethyl-2-(3-phenylpropyl)-6H-purin[7,8-a]imidazole-1,3-quinone Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1)N(C(=O)N(C3=O)CCCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1)N(C(=O)N(C3=O)CCCC4=CC=CC=C4)C)C

InChI

InChI=1S/C19H21N5O2/c1-12-13(2)24-15-16(21-18(24)20-12)22(3)19(26)23(17(15)25)11-7-10-14-8-5-4-6-9-14/h4-6,8-9H,7,10-11H2,1-3H3,(H,20,21)