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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-piperidin-1-ylphenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-(1-piperidyl)phenyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[4-(1-piperidinyl)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4-piperidinophenyl)acetamide Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H22N6OS/c18-14-10-15(19)22-17(21-14)25-11-16(24)20-12-4-6-13(7-5-12)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9,11H2,(H,20,24)(H4,18,19,21,22)