2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C18H23N5OS/c19-15-11-16(20)22-18(21-15)25-12-17(24)23-8-6-14(7-9-23)10-13-4-2-1-3-5-13/h1-5,11,14H,6-10,12H2,(H4,19,20,21,22)