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

Systemtic Name: 6-(2-chloroethyl)-4,7-dimethyl-2-pentyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-chloroethyl)-4,7-dimethyl-2-pentyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-chloroethyl)-4,7-dimethyl-2-pentylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-chloroethyl)-4,7-dimethyl-2-pentylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-amyl-6-(2-chloroethyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C16H22ClN5O2 MolecularWeight: 351.83118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3CCCl)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3CCCl)C)N(C1=O)C

InChI

InChI=1S/C16H22ClN5O2/c1-4-5-6-8-21-14(23)12-13(19(3)16(21)24)18-15-20(9-7-17)11(2)10-22(12)15/h10H,4-9H2,1-3H3