1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(sulfinatoamino)benzimidazole

Systemtic Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(sulfinatoamino)benzimidazole Openeye Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(sulfinatoamino)benzimidazole CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-(sulfinatoamino)benzimidazole IUPAC Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(sulfinatoamino)benzimidazole Traditional Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(sulfinatoamino)benzimidazole Formula: C19H17N6O2S- MolecularWeight: 393.44228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NS(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NS(=O)[O-]

InChI

InChI=1S/C19H18N6O2S/c1-13(14-5-3-2-4-6-14)22-19-20-10-9-18(23-19)25-12-21-16-11-15(24-28(26)27)7-8-17(16)25/h2-13,24H,1H3,(H,26,27)(H,20,22,23)/p-1