3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-methyl-4-oxidanylidene-6-propyl-thieno[2,3-d]pyrimidin-3-yl)propanamide

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-methyl-4-oxidanylidene-6-propyl-thieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-methyl-4-oxo-6-propyl-thieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(2-methyl-4-oxo-6-propyl-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(4-keto-2-methyl-6-propyl-thieno[2,3-d]pyrimidin-3-yl)propionamide Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

Isomeric SMILES

CCCC1=CC2=C(S1)N=C(N(C2=O)NC(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H22N6O4S/c1-5-6-13-9-14-17(29-13)19-12(4)23(18(14)26)21-15(25)7-8-22-11(3)16(24(27)28)10(2)20-22/h9H,5-8H2,1-4H3,(H,21,25)