4-(benzimidazol-1-yl)-N-[1-[1-(phenylsulfonyl)pyrrol-3-yl]ethyl]pyrimidin-2-amine

Systemtic Name: 4-(benzimidazol-1-yl)-N-[1-[1-(phenylsulfonyl)pyrrol-3-yl]ethyl]pyrimidin-2-amine Openeye Name: N-[1-[1-(benzenesulfonyl)pyrrol-3-yl]ethyl]-4-(benzimidazol-1-yl)pyrimidin-2-amine CAS Name: N-[1-[1-(benzenesulfonyl)-3-pyrrolyl]ethyl]-4-(1-benzimidazolyl)-2-pyrimidinamine IUPAC Name: N-[1-[1-(benzenesulfonyl)pyrrol-3-yl]ethyl]-4-(benzimidazol-1-yl)pyrimidin-2-amine Traditional Name: [4-(benzimidazol-1-yl)pyrimidin-2-yl]-[1-(1-besylpyrrol-3-yl)ethyl]amine Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CC(C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C23H20N6O2S/c1-17(18-12-14-28(15-18)32(30,31)19-7-3-2-4-8-19)26-23-24-13-11-22(27-23)29-16-25-20-9-5-6-10-21(20)29/h2-17H,1H3,(H,24,26,27)