2-(3-chloranylphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-thiophen-2-yl-pteridin-7-one

Systemtic Name: 2-(3-chloranylphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-thiophen-2-yl-pteridin-7-one Openeye Name: 2-(3-chlorophenoxy)-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-6-(2-thienyl)pteridin-7-one CAS Name: 2-(3-chlorophenoxy)-8-[[(2R)-2-oxolanyl]methyl]-6-thiophen-2-yl-7-pteridinone IUPAC Name: 2-(3-chlorophenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-thiophen-2-ylpteridin-7-one Traditional Name: 2-(3-chlorophenoxy)-8-[[(2R)-tetrahydrofuran-2-yl]methyl]-6-(2-thienyl)pteridin-7-one Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C3=NC(=NC=C3N=C(C2=O)C4=CC=CS4)OC5=CC(=CC=C5)Cl

Isomeric SMILES

C1C[C@@H](OC1)CN2C3=NC(=NC=C3N=C(C2=O)C4=CC=CS4)OC5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H17ClN4O3S/c22-13-4-1-5-14(10-13)29-21-23-11-16-19(25-21)26(12-15-6-2-8-28-15)20(27)18(24-16)17-7-3-9-30-17/h1,3-5,7,9-11,15H,2,6,8,12H2/t15-/m1/s1