N-[4-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[6-(3-pyridylmethylamino)pyrimidin-4-yl]sulfanylphenyl]acetamide CAS Name: N-[4-[[6-(3-pyridinylmethylamino)-4-pyrimidinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[6-(3-pyridylmethylamino)pyrimidin-4-yl]thio]phenyl]acetamide Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=NC=NC(=C2)NCC3=CN=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=NC=NC(=C2)NCC3=CN=CC=C3

InChI

InChI=1S/C18H17N5OS/c1-13(24)23-15-4-6-16(7-5-15)25-18-9-17(21-12-22-18)20-11-14-3-2-8-19-10-14/h2-10,12H,11H2,1H3,(H,23,24)(H,20,21,22)