N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1,6-naphthyridine-2-carbothioamide

Systemtic Name: N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1,6-naphthyridine-2-carbothioamide Openeye Name: N-[3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-1,6-naphthyridine-2-carbothioamide CAS Name: N-[3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-1,6-naphthyridine-2-carbothioamide IUPAC Name: N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1,6-naphthyridine-2-carbothioamide Traditional Name: N-[3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-1,6-naphthyridine-2-carbothioamide Formula: C24H17N7S MolecularWeight: 435.50368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)C2=NC3=C(C=C2)C=NC=C3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)C2=NC3=C(C=C2)C=NC=C3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C24H17N7S/c32-23(22-7-6-17-15-26-11-8-20(17)30-22)28-18-4-1-5-19(13-18)29-24-27-12-9-21(31-24)16-3-2-10-25-14-16/h1-15H,(H,28,32)(H,27,29,31)