1-[(E)-2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylideneamino]thiourea

Systemtic Name: 1-[(E)-2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylideneamino]thiourea Openeye Name: [(E)-2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylideneamino]thiourea CAS Name: [(E)-2-(8-bromo-1,3-dimethyl-2,6-dioxo-7-purinyl)ethylideneamino]thiourea IUPAC Name: [(E)-2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)ethylideneamino]thiourea Traditional Name: [(E)-2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-7-yl)ethylideneamino]thiourea Formula: C10H12BrN7O2S MolecularWeight: 374.21698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC=NNC(=S)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)C/C=N/NC(=S)N

InChI

InChI=1S/C10H12BrN7O2S/c1-16-6-5(7(19)17(2)10(16)20)18(8(11)14-6)4-3-13-15-9(12)21/h3H,4H2,1-2H3,(H3,12,15,21)/b13-3+