2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(5-cyclopentyl-2-phenyl-3-pyrazolyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(5-cyclopentyl-2-phenylpyrazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(5-cyclopentyl-2-phenyl-pyrazol-3-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C20H23N7OS MolecularWeight: 409.50792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NN(C(=C2)NC(=O)CSC3=NC(=CC(=N3)N)N)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C2=NN(C(=C2)NC(=O)CSC3=NC(=CC(=N3)N)N)C4=CC=CC=C4

InChI

InChI=1S/C20H23N7OS/c21-16-11-17(22)24-20(23-16)29-12-19(28)25-18-10-15(13-6-4-5-7-13)26-27(18)14-8-2-1-3-9-14/h1-3,8-11,13H,4-7,12H2,(H,25,28)(H4,21,22,23,24)