UMT
4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
Created: | 2021-03-02 |
Last modified: | 2022-02-02 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 43 |
Chiral Atom Count | 0 |
Bond Count | 46 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine |
Systematic Name (OpenEye OEToolkits) | 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine |
Formula | C18 H20 N4 O |
Molecular Weight | 308.378 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | C1CN(CCO1)c2nccc(CCc3c[nH]c4ccccc34)n2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4 |
Canonical SMILES | CACTVS | 3.385 | C1CN(CCO1)c2nccc(CCc3c[nH]c4ccccc34)n2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C18H20N4O/c1-2-4-17-16(3-1)14(13-20-17)5-6-15-7-8-19-18(21-15)22-9-11-23-12-10-22/h1-4,7-8,13,20H,5-6,9-12H2 |
InChIKey | InChI | 1.03 | UEMXDZGQUZIRAH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 162423100 |