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

Systemtic Name: 4,7,8-trimethyl-2-pentyl-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-benzyl-4,7,8-trimethyl-2-pentyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-pentyl-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-benzyl-4,7,8-trimethyl-2-pentylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-amyl-6-benzyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2C(=C(N3CC4=CC=CC=C4)C)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2C(=C(N3CC4=CC=CC=C4)C)C)N(C1=O)C

InChI

InChI=1S/C22H27N5O2/c1-5-6-10-13-25-20(28)18-19(24(4)22(25)29)23-21-26(15(2)16(3)27(18)21)14-17-11-8-7-9-12-17/h7-9,11-12H,5-6,10,13-14H2,1-4H3