2-azanyl-3-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]propionic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSCC(C(=O)O)N)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSCC(C(=O)O)N)C=C1

InChI

InChI=1S/C13H15N3O3S/c1-8-2-3-11-15-9(4-12(17)16(11)5-8)6-20-7-10(14)13(18)19/h2-5,10H,6-7,14H2,1H3,(H,18,19)