3-[3,6-dimethyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N-(5-nitro-1,3-thiazol-2-yl)propanamide

Systemtic Name: 3-[3,6-dimethyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N-(5-nitro-1,3-thiazol-2-yl)propanamide Openeye Name: 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-nitrothiazol-2-yl)propanamide CAS Name: 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-nitro-2-thiazolyl)propanamide IUPAC Name: 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(5-nitro-1,3-thiazol-2-yl)propanamide Traditional Name: 3-(2,4-diketo-3,6-dimethyl-1H-pyrimidin-5-yl)-N-(5-nitrothiazol-2-yl)propionamide Formula: C12H13N5O5S MolecularWeight: 339.32712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)N1)C)CCC(=O)NC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(C(=O)N1)C)CCC(=O)NC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O5S/c1-6-7(10(19)16(2)12(20)14-6)3-4-8(18)15-11-13-5-9(23-11)17(21)22/h5H,3-4H2,1-2H3,(H,14,20)(H,13,15,18)