3-[[3-ethoxy-4-(2-ethoxyethoxy)pyridin-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-[[3-ethoxy-4-(2-ethoxyethoxy)pyridin-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[[3-ethoxy-4-(2-ethoxyethoxy)-2-pyridyl]methyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[[3-ethoxy-4-(2-ethoxyethoxy)-2-pyridinyl]methyl]-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[[3-ethoxy-4-(2-ethoxyethoxy)pyridin-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-[[3-ethoxy-4-(2-ethoxyethoxy)-2-pyridyl]methyl]-2-thioxo-7H-purin-6-one Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=C(C(=NC=C1)CN2C3=C(C(=O)NC2=S)NC=N3)OCC

Isomeric SMILES

CCOCCOC1=C(C(=NC=C1)CN2C3=C(C(=O)NC2=S)NC=N3)OCC

InChI

InChI=1S/C17H21N5O4S/c1-3-24-7-8-26-12-5-6-18-11(14(12)25-4-2)9-22-15-13(19-10-20-15)16(23)21-17(22)27/h5-6,10H,3-4,7-9H2,1-2H3,(H,19,20)(H,21,23,27)