1-(2-oxidanylidenepropyl)-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(2-oxidanylidenepropyl)-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1-acetonyl-3,7-dibenzyl-purine-2,6-dione CAS Name: 1-(2-oxopropyl)-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-3,7-dibenzyl-xanthine Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3/c1-16(27)12-26-21(28)19-20(23-15-24(19)13-17-8-4-2-5-9-17)25(22(26)29)14-18-10-6-3-7-11-18/h2-11,15H,12-14H2,1H3