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

Systemtic Name: N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]phenyl]benzamide Openeye Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]phenyl]benzamide CAS Name: N-[4-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]benzamide IUPAC Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]phenyl]benzamide Traditional Name: N-[4-[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]phenyl]benzamide Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C19H17N5O2S/c20-16-10-17(21)24-19(23-16)27-11-15(25)12-6-8-14(9-7-12)22-18(26)13-4-2-1-3-5-13/h1-10H,11H2,(H,22,26)(H4,20,21,23,24)