furan-2-yl-[4-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[6-[3-(1-imidazolyl)propylamino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[6-(3-imidazol-1-ylpropylamino)-5-nitropyrimidin-4-yl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]piperazino]methanone Formula: C19H22N8O4 MolecularWeight: 426.42918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C19H22N8O4/c28-19(15-3-1-12-31-15)26-10-8-25(9-11-26)18-16(27(29)30)17(22-13-23-18)21-4-2-6-24-7-5-20-14-24/h1,3,5,7,12-14H,2,4,6,8-11H2,(H,21,22,23)