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

Systemtic Name: (E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-yl-but-2-en-1-one Openeye Name: (E)-4-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-yl-but-2-en-1-one CAS Name: (E)-4-[(4-amino-6-chloro-2-pyrimidinyl)thio]-1-(1-pyrrolidinyl)-2-buten-1-one IUPAC Name: (E)-4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylbut-2-en-1-one Traditional Name: (E)-4-[(4-amino-6-chloro-pyrimidin-2-yl)thio]-1-pyrrolidino-but-2-en-1-one Formula: C12H15ClN4OS MolecularWeight: 298.7917

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C=CCSC2=NC(=CC(=N2)Cl)N

Isomeric SMILES

C1CCN(C1)C(=O)/C=C/CSC2=NC(=CC(=N2)Cl)N

InChI

InChI=1S/C12H15ClN4OS/c13-9-8-10(14)16-12(15-9)19-7-3-4-11(18)17-5-1-2-6-17/h3-4,8H,1-2,5-7H2,(H2,14,15,16)/b4-3+