4,6-dimethoxy-2-(3-prop-2-ynoxy-1-benzothiophen-2-yl)pyrimidine

Systemtic Name: 4,6-dimethoxy-2-(3-prop-2-ynoxy-1-benzothiophen-2-yl)pyrimidine Openeye Name: 4,6-dimethoxy-2-(3-prop-2-ynoxybenzothiophen-2-yl)pyrimidine CAS Name: 4,6-dimethoxy-2-(3-prop-2-ynoxy-1-benzothiophen-2-yl)pyrimidine IUPAC Name: 4,6-dimethoxy-2-(3-prop-2-ynoxy-1-benzothiophen-2-yl)pyrimidine Traditional Name: 4,6-dimethoxy-2-(3-propargyloxybenzothiophen-2-yl)pyrimidine Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C2=C(C3=CC=CC=C3S2)OCC#C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C2=C(C3=CC=CC=C3S2)OCC#C)OC

InChI

InChI=1S/C17H14N2O3S/c1-4-9-22-15-11-7-5-6-8-12(11)23-16(15)17-18-13(20-2)10-14(19-17)21-3/h1,5-8,10H,9H2,2-3H3