2-azanyl-3-[4-azanyl-3,5-bis(bromanyl)phenyl]-1-(4-pyrimidin-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-azanyl-3-[4-azanyl-3,5-bis(bromanyl)phenyl]-1-(4-pyrimidin-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 2-amino-3-(4-amino-3,5-dibromo-phenyl)-1-(4-pyrimidin-4-ylpiperazin-1-yl)propan-1-one CAS Name: 2-amino-3-(4-amino-3,5-dibromophenyl)-1-[4-(4-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-amino-3-(4-amino-3,5-dibromophenyl)-1-(4-pyrimidin-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 2-amino-3-(4-amino-3,5-dibromo-phenyl)-1-[4-(4-pyrimidyl)piperazino]propan-1-one Formula: C17H20Br2N6O MolecularWeight: 484.1883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC=C2)C(=O)C(CC3=CC(=C(C(=C3)Br)N)Br)N

Isomeric SMILES

C1CN(CCN1C2=NC=NC=C2)C(=O)C(CC3=CC(=C(C(=C3)Br)N)Br)N

InChI

InChI=1S/C17H20Br2N6O/c18-12-7-11(8-13(19)16(12)21)9-14(20)17(26)25-5-3-24(4-6-25)15-1-2-22-10-23-15/h1-2,7-8,10,14H,3-6,9,20-21H2