5-nitro-4-[4-(phenylmethyl)piperidin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperidin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperidinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-5-nitro-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-(4-benzylpiperidino)-5-nitro-6-pyrrolidino-pyrimidine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2/c26-25(27)18-19(23-10-4-5-11-23)21-15-22-20(18)24-12-8-17(9-13-24)14-16-6-2-1-3-7-16/h1-3,6-7,15,17H,4-5,8-14H2