J2O

11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine

Created: 2021-03-24
Last modified:  2022-03-23

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count27
Aromatic Bond Count6
2D diagram of J2O

Chemical Component Summary

Name11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine
Systematic Name (OpenEye OEToolkits)11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine
FormulaC9 H10 Au N3 O S
Molecular Weight405.227
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cc1ccc2O[Au]3SC(=NN3Cc2c1)N
SMILESOpenEye OEToolkits2.0.7Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N
Canonical SMILESCACTVS3.385 Cc1ccc2O[Au]3SC(=NN3Cc2c1)N
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N
InChIInChI1.03 InChI=1S/C9H12N3OS.Au/c1-6-2-3-8(13)7(4-6)5-11-12-9(10)14;/h2-4,13H,5H2,1H3,(H3,10,12,14);/q-1;+3/p-2
InChIKeyInChI1.03 MCPPSWFCAHTLOQ-UHFFFAOYSA-L