2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C15H17N5OS/c16-12-7-13(17)19-15(18-12)22-9-14(21)20-6-5-10-3-1-2-4-11(10)8-20/h1-4,7H,5-6,8-9H2,(H4,16,17,18,19)