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

Systemtic Name: 4,7,8-trimethyl-2-(3-methylbutyl)-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-isopentyl-4,7,8-trimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-(3-methylbutyl)-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-(3-methylbutyl)-6-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-isoamyl-4,7,8-trimethyl-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H29N5O2 MolecularWeight: 407.50866

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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)CCC(C)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2/c1-15(2)11-13-27-21(29)19-20(25(5)23(27)30)24-22-26(16(3)17(4)28(19)22)14-12-18-9-7-6-8-10-18/h6-10,15H,11-14H2,1-5H3