furan-2-yl-[4-[5-nitro-6-(prop-2-ynylamino)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[5-nitro-6-(prop-2-ynylamino)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[5-nitro-6-(prop-2-ynylamino)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[5-nitro-6-(prop-2-ynylamino)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[5-nitro-6-(prop-2-ynylamino)pyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[5-nitro-6-(propargylamino)pyrimidin-4-yl]piperazino]methanone Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

C#CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C16H16N6O4/c1-2-5-17-14-13(22(24)25)15(19-11-18-14)20-6-8-21(9-7-20)16(23)12-4-3-10-26-12/h1,3-4,10-11H,5-9H2,(H,17,18,19)