4-[2-[2-[(5-carbamothioylpyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide

Systemtic Name: 4-[2-[2-[(5-carbamothioylpyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide Openeye Name: 4-[2-[2-[(5-carbamothioyl-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzamide CAS Name: 4-[2-[2-[(5-carbamothioyl-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]benzamide IUPAC Name: 4-[2-[2-[(5-carbamothioylpyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide Traditional Name: 4-[2-[2-[(5-thiocarbamoyl-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzamide Formula: C19H19N7OS MolecularWeight: 393.46546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NCCNC3=NC=C(C=C3)C(=S)N)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NCCNC3=NC=C(C=C3)C(=S)N)C(=O)N

InChI

InChI=1S/C19H19N7OS/c20-17(27)13-3-1-12(2-4-13)15-7-8-23-19(26-15)24-10-9-22-16-6-5-14(11-25-16)18(21)28/h1-8,11H,9-10H2,(H2,20,27)(H2,21,28)(H,22,25)(H,23,24,26)