(E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-N,N-dipropyl-but-2-enamide

Systemtic Name: (E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-N,N-dipropyl-but-2-enamide Openeye Name: (E)-4-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-N,N-dipropyl-but-2-enamide CAS Name: (E)-4-[(4-amino-6-chloro-2-pyrimidinyl)thio]-N,N-dipropyl-2-butenamide IUPAC Name: (E)-4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-N,N-dipropylbut-2-enamide Traditional Name: (E)-4-[(4-amino-6-chloro-pyrimidin-2-yl)thio]-N,N-dipropyl-but-2-enamide Formula: C14H21ClN4OS MolecularWeight: 328.86074

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C=CCSC1=NC(=CC(=N1)Cl)N

Isomeric SMILES

CCCN(CCC)C(=O)/C=C/CSC1=NC(=CC(=N1)Cl)N

InChI

InChI=1S/C14H21ClN4OS/c1-3-7-19(8-4-2)13(20)6-5-9-21-14-17-11(15)10-12(16)18-14/h5-6,10H,3-4,7-9H2,1-2H3,(H2,16,17,18)/b6-5+