2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C17H16N6O2S/c18-7-10-8-20-17(23-15(10)19)26-9-14(24)22-13-4-2-1-3-12(13)16(25)21-11-5-6-11/h1-4,8,11H,5-6,9H2,(H,21,25)(H,22,24)(H2,19,20,23)