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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[4-(3-methylphenoxy)phenyl]ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[4-(3-methylphenoxy)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-[4-(3-methylphenoxy)phenyl]acetamide Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C19H19N5O2S/c1-12-3-2-4-15(9-12)26-14-7-5-13(6-8-14)22-18(25)11-27-19-23-16(20)10-17(21)24-19/h2-10H,11H2,1H3,(H,22,25)(H4,20,21,23,24)