1,3-dimethyl-1,3-bis[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]urea

Systemtic Name: 1,3-dimethyl-1,3-bis[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]urea Openeye Name: 1,3-bis[(E)-(6-benzyloxy-7H-purin-2-yl)azo]-1,3-dimethyl-urea CAS Name: 1,3-dimethyl-1,3-bis[(E)-(6-phenylmethoxy-7H-purin-2-yl)azo]urea IUPAC Name: 1,3-dimethyl-1,3-bis[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]urea Traditional Name: 1,3-bis[(E)-(6-benzoxy-7H-purin-2-yl)azo]-1,3-dimethyl-urea Formula: C27H24N14O3 MolecularWeight: 592.57146

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)N(C)N=NC1=NC2=C(C(=N1)OCC3=CC=CC=C3)NC=N2)N=NC4=NC5=C(C(=N4)OCC6=CC=CC=C6)NC=N5

Isomeric SMILES

CN(/N=N/C1=NC2=C(NC=N2)C(=N1)OCC3=CC=CC=C3)C(=O)N(/N=N/C4=NC5=C(NC=N5)C(=N4)OCC6=CC=CC=C6)C

InChI

InChI=1S/C27H24N14O3/c1-40(38-36-25-32-21-19(28-15-30-21)23(34-25)43-13-17-9-5-3-6-10-17)27(42)41(2)39-37-26-33-22-20(29-16-31-22)24(35-26)44-14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3,(H,28,30,32,34)(H,29,31,33,35)/b38-36+,39-37+