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

Systemtic Name: [4-[6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[6-[4-(benzotriazol-1-yl)-1-piperidyl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[6-[4-(1-benzotriazolyl)-1-piperidinyl]-5-nitro-4-pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-nitropyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[6-[4-(benzotriazol-1-yl)piperidino]-5-nitro-pyrimidin-4-yl]piperazino]-(2-furyl)methanone Formula: C24H25N9O4 MolecularWeight: 503.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3N=N2)C4=C(C(=NC=N4)N5CCN(CC5)C(=O)C6=CC=CO6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3N=N2)C4=C(C(=NC=N4)N5CCN(CC5)C(=O)C6=CC=CO6)[N+](=O)[O-]

InChI

InChI=1S/C24H25N9O4/c34-24(20-6-3-15-37-20)31-13-11-30(12-14-31)23-21(33(35)36)22(25-16-26-23)29-9-7-17(8-10-29)32-19-5-2-1-4-18(19)27-28-32/h1-6,15-17H,7-14H2