3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(pentylamino)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(pentylamino)purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(pentylamino)-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(pentylamino)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(pentylamino)purine-2,6-dione Traditional Name: 8-(amylamino)-3,7-dimethyl-1-(4-methylbenzyl)xanthine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C

InChI

InChI=1S/C20H27N5O2/c1-5-6-7-12-21-19-22-17-16(23(19)3)18(26)25(20(27)24(17)4)13-15-10-8-14(2)9-11-15/h8-11H,5-7,12-13H2,1-4H3,(H,21,22)