1-[3-(phenethylamino)-4H-pyrimidin-6-yl]-6-(sulfinatoamino)benzimidazole

Systemtic Name: 1-[3-(phenethylamino)-4H-pyrimidin-6-yl]-6-(sulfinatoamino)benzimidazole Openeye Name: 1-[3-(phenethylamino)-4H-pyrimidin-6-yl]-6-(sulfinatoamino)benzimidazole CAS Name: 1-[3-(phenethylamino)-4H-pyrimidin-6-yl]-6-(sulfinatoamino)benzimidazole IUPAC Name: 1-[3-(phenethylamino)-4H-pyrimidin-6-yl]-6-(sulfinatoamino)benzimidazole Traditional Name: 1-[3-(phenethylamino)-4H-pyrimidin-6-yl]-6-(sulfinatoamino)benzimidazole Formula: C19H19N6O2S- MolecularWeight: 395.45816

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N=CN1NCCC2=CC=CC=C2)N3C=NC4=C3C=C(C=C4)NS(=O)[O-]

Isomeric SMILES

C1C=C(N=CN1NCCC2=CC=CC=C2)N3C=NC4=C3C=C(C=C4)NS(=O)[O-]

InChI

InChI=1S/C19H20N6O2S/c26-28(27)23-16-6-7-17-18(12-16)25(14-20-17)19-9-11-24(13-21-19)22-10-8-15-4-2-1-3-5-15/h1-7,9,12-14,22-23H,8,10-11H2,(H,26,27)/p-1