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

Systemtic Name: furan-2-yl-[4-[5-nitro-6-[2-(phenylmethylsulfanyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-[6-(2-benzylsulfanylethylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: 2-furanyl-[4-[5-nitro-6-[2-(phenylmethylthio)ethylamino]-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-[6-(2-benzylsulfanylethylamino)-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-[2-(benzylthio)ethylamino]-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NCCSCC3=CC=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NCCSCC3=CC=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C22H24N6O4S/c29-22(18-7-4-13-32-18)27-11-9-26(10-12-27)21-19(28(30)31)20(24-16-25-21)23-8-14-33-15-17-5-2-1-3-6-17/h1-7,13,16H,8-12,14-15H2,(H,23,24,25)