J2O
11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine
Created: | 2021-03-24 |
Last modified: | 2022-03-23 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine |
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 |
Formula | C9 H10 Au N3 O S |
Molecular Weight | 405.227 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Cc1ccc2O[Au]3SC(=NN3Cc2c1)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N |
Canonical SMILES | CACTVS | 3.385 | Cc1ccc2O[Au]3SC(=NN3Cc2c1)N |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)CN3N=C(S[Au]3O2)N |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | MCPPSWFCAHTLOQ-UHFFFAOYSA-L |