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

Systemtic Name: 5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]-6-pyrrolidin-1-yl-pyrimidin-4-amine Openeye Name: 2-(4-benzyl-1-piperidyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-amine CAS Name: 5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]-6-(1-pyrrolidinyl)-4-pyrimidinamine IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine Traditional Name: [2-(4-benzylpiperidino)-5-nitro-6-pyrrolidino-pyrimidin-4-yl]amine Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC(=N2)N3CCC(CC3)CC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC(=N2)N3CCC(CC3)CC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O2/c21-18-17(26(27)28)19(24-10-4-5-11-24)23-20(22-18)25-12-8-16(9-13-25)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H2,21,22,23)