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

Systemtic Name: furan-2-yl-[4-(5-nitro-6-thiomorpholin-4-yl-pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-(5-nitro-6-thiomorpholino-pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-(5-nitro-6-thiomorpholin-4-yl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-(5-nitro-6-thiomorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-(5-nitro-6-thiomorpholino-pyrimidin-4-yl)piperazino]methanone Formula: C17H20N6O4S MolecularWeight: 404.4435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)N3CCSCC3)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)N3CCSCC3)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C17H20N6O4S/c24-17(13-2-1-9-27-13)22-5-3-20(4-6-22)15-14(23(25)26)16(19-12-18-15)21-7-10-28-11-8-21/h1-2,9,12H,3-8,10-11H2