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

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C17H17N5O3S/c1-10(11-2-3-13-14(6-11)25-5-4-24-13)21-15(23)9-26-17-20-8-12(7-18)16(19)22-17/h2-3,6,8,10H,4-5,9H2,1H3,(H,21,23)(H2,19,20,22)