[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

Systemtic Name: [4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone Openeye Name: [4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]-(2,5-dimethyl-3-furyl)methanone CAS Name: [4-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-1-piperazinyl]-(2,5-dimethyl-3-furanyl)methanone IUPAC Name: [4-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone Traditional Name: [4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazino]-(2,5-dimethyl-3-furyl)methanone Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c1-11-9-14(12(2)28-11)17(25)22-5-7-23(8-6-22)18-19-10-15(24(26)27)16(21-18)20-13-3-4-13/h9-10,13H,3-8H2,1-2H3,(H,19,20,21)