2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)CSC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)CSC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C20H21N5O3S/c21-10-13-11-23-19(24-18(13)22)29-12-17(26)25-20(5-1-2-6-20)14-3-4-15-16(9-14)28-8-7-27-15/h3-4,9,11H,1-2,5-8,12H2,(H,25,26)(H2,22,23,24)