1,3-dipropyl-8-[(E)-2-[1-(triphenylmethyl)imidazol-4-yl]ethenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dipropyl-8-[(E)-2-[1-(triphenylmethyl)imidazol-4-yl]ethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[(E)-2-(1-tritylimidazol-4-yl)vinyl]-7H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[(E)-2-[1-(triphenylmethyl)-4-imidazolyl]ethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[(E)-2-(1-tritylimidazol-4-yl)ethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[(E)-2-(1-tritylimidazol-4-yl)vinyl]-7H-purine-2,6-quinone Formula: C35H34N6O2 MolecularWeight: 570.68346

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C=CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H34N6O2/c1-3-22-40-32-31(33(42)41(23-4-2)34(40)43)37-30(38-32)21-20-29-24-39(25-36-29)35(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-21,24-25H,3-4,22-23H2,1-2H3,(H,37,38)/b21-20+