2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide

Systemtic Name: 2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide Openeye Name: 2-[[5-(3-amino-3-oxo-propyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-yl-propanamide CAS Name: 2-[[5-(3-amino-3-oxopropyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidinyl)propanamide IUPAC Name: 2-[[5-(3-amino-3-oxopropyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyrimidin-2-ylpropanamide Traditional Name: 2-[[5-(3-amino-3-keto-propyl)-4-isobutyl-1,2,4-triazol-3-yl]thio]-N-(2-pyrimidyl)propionamide Formula: C16H23N7O2S MolecularWeight: 377.46452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC(C)C(=O)NC2=NC=CC=N2)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SC(C)C(=O)NC2=NC=CC=N2)CCC(=O)N

InChI

InChI=1S/C16H23N7O2S/c1-10(2)9-23-13(6-5-12(17)24)21-22-16(23)26-11(3)14(25)20-15-18-7-4-8-19-15/h4,7-8,10-11H,5-6,9H2,1-3H3,(H2,17,24)(H,18,19,20,25)