1-propan-2-yl-N4-[4-[(4-thiophen-3-ylphenyl)methylamino]pyrimidin-2-yl]benzimidazole-4,7-diamine

Systemtic Name: 1-propan-2-yl-N4-[4-[(4-thiophen-3-ylphenyl)methylamino]pyrimidin-2-yl]benzimidazole-4,7-diamine Openeye Name: 1-isopropyl-N4-[4-[[4-(3-thienyl)phenyl]methylamino]pyrimidin-2-yl]benzimidazole-4,7-diamine CAS Name: 1-propan-2-yl-N4-[4-[[4-(3-thiophenyl)phenyl]methylamino]-2-pyrimidinyl]benzimidazole-4,7-diamine IUPAC Name: 1-propan-2-yl-4-N-[4-[(4-thiophen-3-ylphenyl)methylamino]pyrimidin-2-yl]benzimidazole-4,7-diamine Traditional Name: (7-amino-1-isopropyl-benzimidazol-4-yl)-[4-[[4-(3-thienyl)benzyl]amino]pyrimidin-2-yl]amine Formula: C25H25N7S MolecularWeight: 455.5779

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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)C5=CSC=C5

Isomeric SMILES

CC(C)N1C=NC2=C(C=CC(=C21)N)NC3=NC=CC(=N3)NCC4=CC=C(C=C4)C5=CSC=C5

InChI

InChI=1S/C25H25N7S/c1-16(2)32-15-29-23-21(8-7-20(26)24(23)32)30-25-27-11-9-22(31-25)28-13-17-3-5-18(6-4-17)19-10-12-33-14-19/h3-12,14-16H,13,26H2,1-2H3,(H2,27,28,30,31)