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

Systemtic Name: N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]phenyl]butanamide CAS Name: N-[4-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]phenyl]butyramide Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S/c1-2-3-15(23)19-11-6-4-10(5-7-11)12(22)9-24-16-20-13(17)8-14(18)21-16/h4-8H,2-3,9H2,1H3,(H,19,23)(H4,17,18,20,21)