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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H19N5OS/c1-10(23-16-19-13(17)8-14(18)20-16)15(22)21-7-6-11-4-2-3-5-12(11)9-21/h2-5,8,10H,6-7,9H2,1H3,(H4,17,18,19,20)