N-(furan-2-ylmethyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(furan-2-ylmethyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(2-furylmethyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2-furanylmethyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c27-26(28)19-20(22-14-18-7-4-12-29-18)23-15-24-21(19)25-10-8-17(9-11-25)13-16-5-2-1-3-6-16/h1-7,12,15,17H,8-11,13-14H2,(H,22,23,24)