2-acetamido-3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-ylidene]hydrazinyl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-ylidene]hydrazinyl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[2-(1,3-dimethyl-2,6-dioxo-purin-8-ylidene)hydrazino]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[2-(1,3-dimethyl-2,6-dioxo-8-purinylidene)hydrazinyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[2-(1,3-dimethyl-2,6-dioxopurin-8-ylidene)hydrazinyl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[N'-(2,6-diketo-1,3-dimethyl-purin-8-ylidene)hydrazino]thio]propionic acid Formula: C12H15N7O5S MolecularWeight: 369.3564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSNN=C1N=C2C(=N1)N(C(=O)N(C2=O)C)C)C(=O)O

Isomeric SMILES

CC(=O)NC(CSNN=C1N=C2C(=N1)N(C(=O)N(C2=O)C)C)C(=O)O

InChI

InChI=1S/C12H15N7O5S/c1-5(20)13-6(10(22)23)4-25-17-16-11-14-7-8(15-11)18(2)12(24)19(3)9(7)21/h6,17H,4H2,1-3H3,(H,13,20)(H,22,23)