2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[(cyclopropylamino)-oxomethyl]propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(cyclopropylcarbamoyl)propionamide Formula: C12H14N6O2S MolecularWeight: 306.34356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C12H14N6O2S/c1-6(10(19)18-11(20)16-8-2-3-8)21-12-15-5-7(4-13)9(14)17-12/h5-6,8H,2-3H2,1H3,(H2,14,15,17)(H2,16,18,19,20)