3-methyl-7-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 3-methyl-7-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one Openeye Name: 3-methyl-7-[(5-nitro-2-oxo-1-pyridyl)methyl]thiazolo[3,2-a]pyrimidin-5-one CAS Name: 3-methyl-7-[(5-nitro-2-oxo-1-pyridinyl)methyl]-5-thiazolo[3,2-a]pyrimidinone IUPAC Name: 3-methyl-7-[(5-nitro-2-oxopyridin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-[(2-keto-5-nitro-1-pyridyl)methyl]-3-methyl-thiazolo[3,2-a]pyrimidin-5-one Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=CC(=O)N12)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC2=NC(=CC(=O)N12)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4S/c1-8-7-22-13-14-9(4-12(19)16(8)13)5-15-6-10(17(20)21)2-3-11(15)18/h2-4,6-7H,5H2,1H3