3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C19H19N5O2S/c20-16-12-17(21)24-19(23-16)27-11-10-18(25)22-13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,22,25)(H4,20,21,23,24)