2-chloranyl-8-(2-methoxy-4-prop-2-ynoxy-phenyl)-7H-purine

Systemtic Name: 2-chloranyl-8-(2-methoxy-4-prop-2-ynoxy-phenyl)-7H-purine Openeye Name: 2-chloro-8-(2-methoxy-4-prop-2-ynoxy-phenyl)-7H-purine CAS Name: 2-chloro-8-(2-methoxy-4-prop-2-ynoxyphenyl)-7H-purine IUPAC Name: 2-chloro-8-(2-methoxy-4-prop-2-ynoxyphenyl)-7H-purine Traditional Name: 2-chloro-8-(2-methoxy-4-propargyloxy-phenyl)-7H-purine Formula: C15H11ClN4O2 MolecularWeight: 314.72644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCC#C)C2=NC3=NC(=NC=C3N2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)OCC#C)C2=NC3=NC(=NC=C3N2)Cl

InChI

InChI=1S/C15H11ClN4O2/c1-3-6-22-9-4-5-10(12(7-9)21-2)13-18-11-8-17-15(16)20-14(11)19-13/h1,4-5,7-8H,6H2,2H3,(H,17,18,19,20)