benzotriazol-1-ylmethyl 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: benzotriazol-1-ylmethyl 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: benzotriazol-1-ylmethyl 2-(4,6-diaminopyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]acetic acid 1-benzotriazolylmethyl ester IUPAC Name: benzotriazol-1-ylmethyl 2-(4,6-diaminopyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]acetic acid benzotriazol-1-ylmethyl ester Formula: C13H13N7O2S MolecularWeight: 331.35302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2COC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2COC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C13H13N7O2S/c14-10-5-11(15)17-13(16-10)23-6-12(21)22-7-20-9-4-2-1-3-8(9)18-19-20/h1-5H,6-7H2,(H4,14,15,16,17)