N4-(furan-2-ylmethyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: N4-(furan-2-ylmethyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzyl-1-piperidyl)-N4-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-furanylmethyl)-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperidin-1-yl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O3/c22-19-18(27(28)29)20(23-14-17-7-4-12-30-17)25-21(24-19)26-10-8-16(9-11-26)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H3,22,23,24,25)