N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]phenyl]hexanamide

Systemtic Name: N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]phenyl]hexanamide Openeye Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]phenyl]hexanamide CAS Name: N-[4-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]hexanamide IUPAC Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]phenyl]hexanamide Traditional Name: N-[4-[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]phenyl]hexanamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C18H23N5O2S/c1-2-3-4-5-17(25)21-13-8-6-12(7-9-13)14(24)11-26-18-22-15(19)10-16(20)23-18/h6-10H,2-5,11H2,1H3,(H,21,25)(H4,19,20,22,23)