3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propyl thiocyanate

Systemtic Name: 3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propyl thiocyanate Openeye Name: 3-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)propyl thiocyanate CAS Name: thiocyanic acid 3-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)propyl ester IUPAC Name: 3-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)propyl thiocyanate Traditional Name: thiocyanic acid 3-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)propyl ester Formula: C10H10BrN5O2S MolecularWeight: 344.1877

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCSC#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCSC#N

InChI

InChI=1S/C10H10BrN5O2S/c1-15-7-6(8(17)14-10(15)18)16(9(11)13-7)3-2-4-19-5-12/h2-4H2,1H3,(H,14,17,18)