3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-chloranyl-2,4-dimethoxy-phenyl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-chloranyl-2,4-dimethoxy-phenyl)propanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C15H18ClN5O3S MolecularWeight: 383.85312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CCSC2=NC(=CC(=N2)N)N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CCSC2=NC(=CC(=N2)N)N)Cl)OC

InChI

InChI=1S/C15H18ClN5O3S/c1-23-10-6-11(24-2)9(5-8(10)16)19-14(22)3-4-25-15-20-12(17)7-13(18)21-15/h5-7H,3-4H2,1-2H3,(H,19,22)(H4,17,18,20,21)