6-butyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-butyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-butyl-4,7,8-trimethyl-2-(o-tolylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-butyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-butyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-butyl-4,7,8-trimethyl-2-(2-methylbenzyl)purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC=CC=C4C)C)C

Isomeric SMILES

CCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC=CC=C4C)C)C

InChI

InChI=1S/C22H27N5O2/c1-6-7-12-25-15(3)16(4)27-18-19(23-21(25)27)24(5)22(29)26(20(18)28)13-17-11-9-8-10-14(17)2/h8-11H,6-7,12-13H2,1-5H3