2-[(5-azanyl-2-chloranyl-phenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(5-azanyl-2-chloranyl-phenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(5-amino-2-chloro-phenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(5-amino-2-chlorophenyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(5-amino-2-chlorophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(5-amino-2-chloro-benzyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C14H16ClN3OS MolecularWeight: 309.81434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=C(C=CC(=C2)N)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=C(C=CC(=C2)N)Cl

InChI

InChI=1S/C14H16ClN3OS/c1-2-3-11-7-13(19)18-14(17-11)20-8-9-6-10(16)4-5-12(9)15/h4-7H,2-3,8,16H2,1H3,(H,17,18,19)