5,6-bis(azanyl)-2-[4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 5,6-bis(azanyl)-2-[4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 5,6-diamino-2-[4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butylsulfanyl]-1H-pyrimidin-4-one CAS Name: 5,6-diamino-2-[4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]butylthio]-1H-pyrimidin-4-one IUPAC Name: 5,6-diamino-2-[4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5,6-diamino-2-[4-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]butylthio]-1H-pyrimidin-4-one Formula: C12H17N7O2S2 MolecularWeight: 355.43908

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=NC1=O)SCCCCSC2=NC(=O)C(=C(N2)N)N)N

Isomeric SMILES

C1=C(NC(=NC1=O)SCCCCSC2=NC(=O)C(=C(N2)N)N)N

InChI

InChI=1S/C12H17N7O2S2/c13-6-5-7(20)17-11(16-6)22-3-1-2-4-23-12-18-9(15)8(14)10(21)19-12/h5H,1-4,14H2,(H3,13,16,17,20)(H3,15,18,19,21)