2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-chloranylcyclohexa-1,5-dien-1-yl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-chloranylcyclohexa-1,5-dien-1-yl)ethanamide Openeye Name: N-(4-chlorocyclohexa-1,5-dien-1-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-1-cyclohexa-1,5-dienyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-chlorocyclohexa-1,5-dien-1-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-chlorocyclohexa-1,5-dien-1-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C12H14ClN5OS MolecularWeight: 311.79046

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1Cl)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1C=C(C=CC1Cl)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H14ClN5OS/c13-7-1-3-8(4-2-7)16-11(19)6-20-12-17-9(14)5-10(15)18-12/h1,3-5,7H,2,6H2,(H,16,19)(H4,14,15,17,18)