(E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-1-piperidin-1-yl-but-2-en-1-one

Systemtic Name: (E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-1-piperidin-1-yl-but-2-en-1-one Openeye Name: (E)-4-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-1-(1-piperidyl)but-2-en-1-one CAS Name: (E)-4-[(4-amino-6-chloro-2-pyrimidinyl)thio]-1-(1-piperidinyl)-2-buten-1-one IUPAC Name: (E)-4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-1-piperidin-1-ylbut-2-en-1-one Traditional Name: (E)-4-[(4-amino-6-chloro-pyrimidin-2-yl)thio]-1-piperidino-but-2-en-1-one Formula: C13H17ClN4OS MolecularWeight: 312.81828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C=CCSC2=NC(=CC(=N2)Cl)N

Isomeric SMILES

C1CCN(CC1)C(=O)/C=C/CSC2=NC(=CC(=N2)Cl)N

InChI

InChI=1S/C13H17ClN4OS/c14-10-9-11(15)17-13(16-10)20-8-4-5-12(19)18-6-2-1-3-7-18/h4-5,9H,1-3,6-8H2,(H2,15,16,17)/b5-4+