2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[4-(4-methylpiperidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[4-(4-methylpiperidin-1-yl)phenyl]ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-(4-methyl-1-piperidyl)phenyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[4-(4-methyl-1-piperidinyl)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-[4-(4-methylpiperidino)phenyl]acetamide Formula: C18H24N6OS MolecularWeight: 372.48776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C18H24N6OS/c1-12-6-8-24(9-7-12)14-4-2-13(3-5-14)21-17(25)11-26-18-22-15(19)10-16(20)23-18/h2-5,10,12H,6-9,11H2,1H3,(H,21,25)(H4,19,20,22,23)