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

Systemtic Name: 2-methoxy-8-(2-methoxy-4-prop-2-ynoxy-phenyl)-7H-purine Openeye Name: 2-methoxy-8-(2-methoxy-4-prop-2-ynoxy-phenyl)-7H-purine CAS Name: 2-methoxy-8-(2-methoxy-4-prop-2-ynoxyphenyl)-7H-purine IUPAC Name: 2-methoxy-8-(2-methoxy-4-prop-2-ynoxyphenyl)-7H-purine Traditional Name: 2-methoxy-8-(2-methoxy-4-propargyloxy-phenyl)-7H-purine Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3/c1-4-7-23-10-5-6-11(13(8-10)21-2)14-18-12-9-17-16(22-3)20-15(12)19-14/h1,5-6,8-9H,7H2,2-3H3,(H,17,18,19,20)