(Q105338938)

English

(3R)-9-thia-11,15,20-triazaheptacyclo[12.6.1.1³,¹⁰.0²,¹².0³,⁸.0⁵,²⁰.0¹⁷,²¹]docosa-1,7,11,14(21),16-pentaene-6,13-dione

group of stereoisomers with the chemical formula C₁₈H₁₃N₃O₂S

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Statements

group of stereoisomers

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335.0728476560001 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₈H₁₃N₃O₂S

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canonical SMILES

O=C1C2=NC3SC4=CC(=O)C5N6C(C7=C1NC=C7CC6)=C2C4(C3)C5

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isomeric SMILES

O=C1C2=NC3C[C@@]45CC(C(=O)C=C4S3)N3CCc4c[nH]c1c4C3=C25

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Identifiers

InChI=1S/C18H13N3O2S/c22-9-3-10-18-4-8(9)21-2-1-7-6-19-14-12(7)16(21)13(18)15(17(14)23)20-11(5-18)24-10/h3,6,8,11,19H,1-2,4-5H2/t8?,11?,18-/m0/s1

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XPQKXHQWGMXAQU-XSNIXOOPSA-N

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