2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-3-thiophen-3-yl-propanal

Systemtic Name: 2-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-3-thiophen-3-yl-propanal Openeye Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-(3-thienyl)propanal CAS Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-(3-thiophenyl)propanal IUPAC Name: 2-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)-3-thiophen-3-ylpropanal Traditional Name: 2-(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)-3-(3-thienyl)propionaldehyde Formula: C11H10N4O4S MolecularWeight: 296.279042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1CC(C=O)C2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CSC=C1CC([14CH]=O)C2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O4S/c12-11-13-8(9(15(18)19)10(17)14-11)7(4-16)3-6-1-2-20-5-6/h1-2,4-5,7H,3H2,(H3,12,13,14,17)/i4+2