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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: N-benzyl-2-[(4,6-diaminopyrimidin-2-yl)thio]-N-phenethyl-acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS/c22-18-13-19(23)25-21(24-18)28-15-20(27)26(14-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,13H,11-12,14-15H2,(H4,22,23,24,25)