2-[(3-azanylpyridin-4-yl)sulfanylmethyl]-7-chloranyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(3-azanylpyridin-4-yl)sulfanylmethyl]-7-chloranyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(3-amino-4-pyridyl)sulfanylmethyl]-7-chloro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(3-amino-4-pyridinyl)thio]methyl]-7-chloro-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(3-aminopyridin-4-yl)sulfanylmethyl]-7-chloropyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(3-amino-4-pyridyl)thio]methyl]-7-chloro-pyrido[1,2-a]pyrimidin-4-one Formula: C14H11ClN4OS MolecularWeight: 318.78134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1Cl)CSC3=C(C=NC=C3)N

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Cl)CSC3=C(C=NC=C3)N

InChI

InChI=1S/C14H11ClN4OS/c15-9-1-2-13-18-10(5-14(20)19(13)7-9)8-21-12-3-4-17-6-11(12)16/h1-7H,8,16H2