5,6-bis(azanyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5,6-bis(azanyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 5,6-diamino-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 5,6-diamino-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 5,6-diamino-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 5,6-diamino-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O2S/c16-12-13(17)18-15(19-14(12)22)23-8-11(21)20-6-5-9-3-1-2-4-10(9)7-20/h1-4H,5-8,16H2,(H3,17,18,19,22)