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

Systemtic Name: (E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-4-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-4-[(4-amino-6-chloro-2-pyrimidinyl)thio]-1-(4-methyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-4-[(4-amino-6-chloro-pyrimidin-2-yl)thio]-1-(4-methylpiperazino)but-2-en-1-one Formula: C13H18ClN5OS MolecularWeight: 327.83292

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C=CCSC2=NC(=CC(=N2)Cl)N

Isomeric SMILES

CN1CCN(CC1)C(=O)/C=C/CSC2=NC(=CC(=N2)Cl)N

InChI

InChI=1S/C13H18ClN5OS/c1-18-4-6-19(7-5-18)12(20)3-2-8-21-13-16-10(14)9-11(15)17-13/h2-3,9H,4-8H2,1H3,(H2,15,16,17)/b3-2+