2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(3-methylisoxazol-5-yl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(3-methyl-5-isoxazolyl)propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(3-methylisoxazol-5-yl)propionamide Formula: C12H12N6O2S MolecularWeight: 304.32768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC1=NOC(=C1)NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C12H12N6O2S/c1-6-3-9(20-18-6)16-11(19)7(2)21-12-15-5-8(4-13)10(14)17-12/h3,5,7H,1-2H3,(H,16,19)(H2,14,15,17)