1-azanyl-N-[3-[[4-(3-azanylpropylamino)-5-bromanyl-pyrimidin-2-yl]amino]phenyl]cyclohexane-1-carboxamide

Systemtic Name: 1-azanyl-N-[3-[[4-(3-azanylpropylamino)-5-bromanyl-pyrimidin-2-yl]amino]phenyl]cyclohexane-1-carboxamide Openeye Name: 1-amino-N-[3-[[4-(3-aminopropylamino)-5-bromo-pyrimidin-2-yl]amino]phenyl]cyclohexanecarboxamide CAS Name: 1-amino-N-[3-[[4-(3-aminopropylamino)-5-bromo-2-pyrimidinyl]amino]phenyl]-1-cyclohexanecarboxamide IUPAC Name: 1-amino-N-[3-[[4-(3-aminopropylamino)-5-bromopyrimidin-2-yl]amino]phenyl]cyclohexane-1-carboxamide Traditional Name: 1-amino-N-[3-[[4-(3-aminopropylamino)-5-bromo-pyrimidin-2-yl]amino]phenyl]cyclohexanecarboxamide Formula: C20H28BrN7O MolecularWeight: 462.38662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCN)Br)N

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCN)Br)N

InChI

InChI=1S/C20H28BrN7O/c21-16-13-25-19(28-17(16)24-11-5-10-22)27-15-7-4-6-14(12-15)26-18(29)20(23)8-2-1-3-9-20/h4,6-7,12-13H,1-3,5,8-11,22-23H2,(H,26,29)(H2,24,25,27,28)