4-chloranyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-chloranyl-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-chloro-5-nitro-pyrimidine CAS Name: 4-chloro-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-chloro-5-nitropyrimidine Traditional Name: 4-(4-benzylpiperazino)-6-chloro-5-nitro-pyrimidine Formula: C15H16ClN5O2 MolecularWeight: 333.77284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN5O2/c16-14-13(21(22)23)15(18-11-17-14)20-8-6-19(7-9-20)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2