2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)propanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)propanamide Openeye Name: N-(4-cyanophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(4-cyanophenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-cyanophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(4-cyanophenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H14N6OS/c1-8(22-14-19-11(16)6-12(17)20-14)13(21)18-10-4-2-9(7-15)3-5-10/h2-6,8H,1H3,(H,18,21)(H4,16,17,19,20)