4-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]butyl carbamimidothioate

Systemtic Name: 4-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]butyl carbamimidothioate Openeye Name: 2-[4-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)butyl]isothiourea CAS Name: carbamimidothioic acid 4-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)butyl ester IUPAC Name: 4-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)butyl carbamimidothioate Traditional Name: 2-[4-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)butyl]isothiourea Formula: C11H15BrN6O2S MolecularWeight: 375.2448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCCSC(=N)N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCCSC(=N)N

InChI

InChI=1S/C11H15BrN6O2S/c1-17-7-6(8(19)16-11(17)20)18(9(12)15-7)4-2-3-5-21-10(13)14/h2-5H2,1H3,(H3,13,14)(H,16,19,20)