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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N,N-bis(phenylmethyl)ethanamide Openeye Name: N,N-dibenzyl-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N,N-bis(phenylmethyl)acetamide IUPAC Name: N,N-dibenzyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N,N-dibenzyl-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C20H21N5OS/c21-17-11-18(22)24-20(23-17)27-14-19(26)25(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-11H,12-14H2,(H4,21,22,23,24)