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

Systemtic Name: N-[2-(2-chloranylphenoxy)ethyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[2-(2-chlorophenoxy)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(2-chlorophenoxy)ethyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[2-(2-chlorophenoxy)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-[2-(2-chlorophenoxy)ethyl]amine Formula: C23H25ClN6O3 MolecularWeight: 468.936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCOC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCOC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H25ClN6O3/c24-19-8-4-5-9-20(19)33-15-10-25-22-21(30(31)32)23(27-17-26-22)29-13-11-28(12-14-29)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,25,26,27)