2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)butanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methylquinolin-4-yl)butanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methyl-4-quinolyl)butanamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-methyl-4-quinolinyl)butanamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methylquinolin-4-yl)butanamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-methyl-4-quinolyl)butyramide Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)SC3=NC(=CC(=N3)N)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)SC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C18H20N6OS/c1-3-14(26-18-23-15(19)9-16(20)24-18)17(25)22-13-8-10(2)21-12-7-5-4-6-11(12)13/h4-9,14H,3H2,1-2H3,(H,21,22,25)(H4,19,20,23,24)