2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C17H19N7OS MolecularWeight: 369.44406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H19N7OS/c1-10-16(11(2)24(23-10)12-6-4-3-5-7-12)22-15(25)9-26-17-20-13(18)8-14(19)21-17/h3-8H,9H2,1-2H3,(H,22,25)(H4,18,19,20,21)