2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3,3-diphenylpropyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(3,3-diphenylpropyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(3,3-diphenylpropyl)acetamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)CSC2=NC(=CC(=N2)N)N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)CSC2=NC(=CC(=N2)N)N)C3=CC=CC=C3

InChI

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