5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-pyridin-3-yl-pyrimidin-4-amine

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-pyridin-3-yl-pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-(3-pyridyl)pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-N-(3-pyridinyl)-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-pyridin-3-ylpyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-pyridyl)amine Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N7O2/c28-27(29)18-19(24-17-7-4-8-21-13-17)22-15-23-20(18)26-11-9-25(10-12-26)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,22,23,24)