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

Systemtic Name: 6-(2-aminophenyl)-4,7,8-trimethyl-2-pentyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-aminophenyl)-4,7,8-trimethyl-2-pentyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-aminophenyl)-4,7,8-trimethyl-2-pentylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-aminophenyl)-4,7,8-trimethyl-2-pentylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-aminophenyl)-2-amyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=CC=C4N)C)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=CC=C4N)C)C)N(C1=O)C

InChI

InChI=1S/C21H26N6O2/c1-5-6-9-12-25-19(28)17-18(24(4)21(25)29)23-20-26(13(2)14(3)27(17)20)16-11-8-7-10-15(16)22/h7-8,10-11H,5-6,9,12,22H2,1-4H3