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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(phenylcarbamoyl)propionamide Formula: C14H16N6O2S MolecularWeight: 332.38084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N6O2S/c1-8(23-14-18-10(15)7-11(16)19-14)12(21)20-13(22)17-9-5-3-2-4-6-9/h2-8H,1H3,(H4,15,16,18,19)(H2,17,20,21,22)