4-methyl-2-pentyl-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4-methyl-2-pentyl-7-phenyl-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-isopropyl-4-methyl-2-pentyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-2-pentyl-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-2-pentyl-7-phenyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-amyl-6-isopropyl-4-methyl-7-phenyl-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(N3C(C)C)C4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3C(C)C)C4=CC=CC=C4)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(18)14-17(27(21)15(2)3)16-11-8-7-9-12-16/h7-9,11-12,14-15H,5-6,10,13H2,1-4H3