7-methyl-1,8-bis(phenylmethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-methyl-1,8-bis(phenylmethyl)-3-propyl-purine-2,6-dione Openeye Name: 1,8-dibenzyl-7-methyl-3-propyl-purine-2,6-dione CAS Name: 7-methyl-1,8-bis(phenylmethyl)-3-propylpurine-2,6-dione IUPAC Name: 1,8-dibenzyl-7-methyl-3-propylpurine-2,6-dione Traditional Name: 1,8-dibenzyl-7-methyl-3-propyl-xanthine Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)CC4=CC=CC=C4)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H24N4O2/c1-3-14-26-21-20(25(2)19(24-21)15-17-10-6-4-7-11-17)22(28)27(23(26)29)16-18-12-8-5-9-13-18/h4-13H,3,14-16H2,1-2H3