N4-[4-[(4-iodophenyl)methylamino]pyrimidin-2-yl]-1-propan-2-yl-benzimidazole-4,7-diamine

Systemtic Name: N4-[4-[(4-iodophenyl)methylamino]pyrimidin-2-yl]-1-propan-2-yl-benzimidazole-4,7-diamine Openeye Name: N4-[4-[(4-iodophenyl)methylamino]pyrimidin-2-yl]-1-isopropyl-benzimidazole-4,7-diamine CAS Name: N4-[4-[(4-iodophenyl)methylamino]-2-pyrimidinyl]-1-propan-2-ylbenzimidazole-4,7-diamine IUPAC Name: 4-N-[4-[(4-iodophenyl)methylamino]pyrimidin-2-yl]-1-propan-2-ylbenzimidazole-4,7-diamine Traditional Name: (7-amino-1-isopropyl-benzimidazol-4-yl)-[4-[(4-iodobenzyl)amino]pyrimidin-2-yl]amine Formula: C21H22IN7 MolecularWeight: 499.35075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C(C=CC(=C21)N)NC3=NC=CC(=N3)NCC4=CC=C(C=C4)I

Isomeric SMILES

CC(C)N1C=NC2=C(C=CC(=C21)N)NC3=NC=CC(=N3)NCC4=CC=C(C=C4)I

InChI

InChI=1S/C21H22IN7/c1-13(2)29-12-26-19-17(8-7-16(23)20(19)29)27-21-24-10-9-18(28-21)25-11-14-3-5-15(22)6-4-14/h3-10,12-13H,11,23H2,1-2H3,(H2,24,25,27,28)