3-phenyl-7-(phenylmethyl)-1-(propoxymethyl)purine-2,6-dione

Systemtic Name: 3-phenyl-7-(phenylmethyl)-1-(propoxymethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-phenyl-1-(propoxymethyl)purine-2,6-dione CAS Name: 3-phenyl-7-(phenylmethyl)-1-(propoxymethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-phenyl-1-(propoxymethyl)purine-2,6-dione Traditional Name: 7-benzyl-3-phenyl-1-(propoxymethyl)xanthine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4

Isomeric SMILES

CCCOCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3/c1-2-13-29-16-25-21(27)19-20(26(22(25)28)18-11-7-4-8-12-18)23-15-24(19)14-17-9-5-3-6-10-17/h3-12,15H,2,13-14,16H2,1H3