2-[(1R,3S)-3-azanyl-4-oxidanyl-1-pyrimidin-5-yl-butyl]sulfanyl-4-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-pyrimidin-5-yl-butyl]sulfanyl-4-chloranyl-benzenecarbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-pyrimidin-5-yl-butyl]sulfanyl-4-chloro-benzonitrile CAS Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-(5-pyrimidinyl)butyl]thio]-4-chlorobenzonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-pyrimidin-5-ylbutyl]sulfanyl-4-chlorobenzonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-(5-pyrimidyl)butyl]thio]-4-chloro-benzonitrile Formula: C15H15ClN4OS MolecularWeight: 334.8238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)SC(CC(CO)N)C2=CN=CN=C2)C#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)S[C@H](C[C@@H](CO)N)C2=CN=CN=C2)C#N

InChI

InChI=1S/C15H15ClN4OS/c16-12-2-1-10(5-17)14(3-12)22-15(4-13(18)8-21)11-6-19-9-20-7-11/h1-3,6-7,9,13,15,21H,4,8,18H2/t13-,15+/m0/s1