8-(1-ethoxyethenyl)-1,3,7-tris(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(1-ethoxyethenyl)-1,3,7-tris(phenylmethyl)purine-2,6-dione Openeye Name: 1,3,7-tribenzyl-8-(1-ethoxyvinyl)purine-2,6-dione CAS Name: 8-(1-ethoxyethenyl)-1,3,7-tris(phenylmethyl)purine-2,6-dione IUPAC Name: 1,3,7-tribenzyl-8-(1-ethoxyethenyl)purine-2,6-dione Traditional Name: 1,3,7-tribenzyl-8-(1-ethoxyvinyl)xanthine Formula: C30H28N4O3 MolecularWeight: 492.56832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=C)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H28N4O3/c1-3-37-22(2)27-31-28-26(32(27)19-23-13-7-4-8-14-23)29(35)34(21-25-17-11-6-12-18-25)30(36)33(28)20-24-15-9-5-10-16-24/h4-18H,2-3,19-21H2,1H3