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

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)propanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-3-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C15H18ClN5O2S MolecularWeight: 367.85372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H18ClN5O2S/c1-8-5-10(11(23-2)6-9(8)16)19-14(22)3-4-24-15-20-12(17)7-13(18)21-15/h5-7H,3-4H2,1-2H3,(H,19,22)(H4,17,18,20,21)