M5N
4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one
Created: | 2019-10-03 |
Last modified: | 2020-03-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 1 |
Bond Count | 31 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one |
Systematic Name (OpenEye OEToolkits) | 4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one |
Formula | C11 H16 N2 O |
Molecular Weight | 192.258 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(C)C1=NC(=O)N=C2CCCC[CH]12 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1=NC(=O)N=C2C1CCCC2 |
Canonical SMILES | CACTVS | 3.385 | CC(C)C1=NC(=O)N=C2CCCC[C@H]12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1=NC(=O)N=C2C1CCCC2 |
InChI | InChI | 1.03 | InChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1 |
InChIKey | InChI | 1.03 | HEXVASBLYUHGSF-QMMMGPOBSA-N |