5-nitro-N-(2-phenoxyethyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(2-phenoxyethyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-(2-phenoxyethyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(2-phenoxyethyl)-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-(2-phenoxyethyl)pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-phenoxyethyl)amine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCOC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCOC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O3/c30-29(31)21-22(24-11-16-32-20-9-5-2-6-10-20)25-18-26-23(21)28-14-12-27(13-15-28)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2,(H,24,25,26)