2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[4-[ethyl(isopropyl)amino]phenyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[4-[ethyl(isopropyl)amino]phenyl]acetamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N)C(C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)N)C#N)C(C)C

InChI

InChI=1S/C18H22N6OS/c1-4-24(12(2)3)15-7-5-14(6-8-15)22-16(25)11-26-18-21-10-13(9-19)17(20)23-18/h5-8,10,12H,4,11H2,1-3H3,(H,22,25)(H2,20,21,23)