5-nitro-N-(phenylmethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(phenylmethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-benzyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: 5-nitro-N-(phenylmethyl)-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: benzyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O2/c28-27(29)19-20(22-15-17-7-3-1-4-8-17)23-16-24-21(19)26-13-11-25(12-14-26)18-9-5-2-6-10-18/h1-10,16H,11-15H2,(H,22,23,24)