4-[4-(aminomethyl)piperidin-1-yl]-N-(3-bromophenyl)-5-nitro-pyrimidin-2-amine

Systemtic Name: 4-[4-(aminomethyl)piperidin-1-yl]-N-(3-bromophenyl)-5-nitro-pyrimidin-2-amine Openeye Name: 4-[4-(aminomethyl)-1-piperidyl]-N-(3-bromophenyl)-5-nitro-pyrimidin-2-amine CAS Name: 4-[4-(aminomethyl)-1-piperidinyl]-N-(3-bromophenyl)-5-nitro-2-pyrimidinamine IUPAC Name: 4-[4-(aminomethyl)piperidin-1-yl]-N-(3-bromophenyl)-5-nitropyrimidin-2-amine Traditional Name: [4-[4-(aminomethyl)piperidino]-5-nitro-pyrimidin-2-yl]-(3-bromophenyl)amine Formula: C16H19BrN6O2 MolecularWeight: 407.26506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1CN)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H19BrN6O2/c17-12-2-1-3-13(8-12)20-16-19-10-14(23(24)25)15(21-16)22-6-4-11(9-18)5-7-22/h1-3,8,10-11H,4-7,9,18H2,(H,19,20,21)