2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C18H24N6O4S2 MolecularWeight: 452.55096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H24N6O4S2/c1-28-13-6-5-12(9-14(13)30(26,27)24-7-3-2-4-8-24)21-17(25)11-29-18-22-15(19)10-16(20)23-18/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,21,25)(H4,19,20,22,23)